CAS
93688-66-5 Purity
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93688-66-5 Purity
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4-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)-1-piperidinecarboxylic acid phenylmethyl ester
CAS
936901-81-4
Catalog Number
ACM936901814
Category
Other Products
Molecular Weight
370.83
Molecular Formula
C19H19ClN4O2
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Specification
Density
1.38
What is the molecular formula of the compound identified by PubChem CID 42609367?
The molecular formula is C19H19ClN4O2.
What is the molecular weight of the compound?
The molecular weight is 370.8 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is benzyl 4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the InChI code of the compound?
The InChI code is InChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(24(16)11-8-21-17)15-6-9-23(10-7-15)19(25)26-13-14-4-2-1-3-5-14/h1-5,8,11-12,15H,6-7,9-10,13H2.
What is the InChIKey of the compound?
The InChIKey is GICTYCOUGZEHPH-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1CN(CCC1C2=NC=C3N2C=CN=C3Cl)C(=O)OCC4=CC=CC=C4.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.7.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 59.7 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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