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927181-97-3 Purity
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927181-97-3 Purity
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Methyl 2-(3-cyanobenzamido)-3-(3-methoxypropyl)-3H-imidazo[4,5-b]pyridine-6-carboxylate
CAS
927186-04-7
Catalog Number
ACM927186047
Category
Other Products
Molecular Weight
393.395960 [g/mol]
Molecular Formula
C20H19N5O4
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Specification
Synonyms
methyl 2-(3-cyanobenzamido)-3-(3-methoxypropyl)-3H-imidazo[4,5-b]pyridine-6-carboxylate, SCHEMBL4589978, CJQZQTMOXNAHNO-UHFFFAOYSA-N, ZINC71261406, 927186-04-7
IUPAC Name
methyl 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
Canonical SMILES
COCCCN1C2=C(C=C(C=N2)C(=O)OC)N=C1NC(=O)C3=CC=CC(=C3)C#N
InChI Key
CJQZQTMOXNAHNO-UHFFFAOYSA-N
Exact Mass
393.14400
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C20H19N5O4.
What are the synonyms of the compound?
The synonyms of the compound are SCHEMBL4589978, DTXSID90705178, and CJQZQTMOXNAHNO-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight of the compound is 393.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COCCCN1C2=C(C=C(C=N2)C(=O)OC)N=C1NC(=O)C3=CC=CC(=C3)C#N.
What is the CAS number of the compound?
The CAS number of the compound is 927186-04-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
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