4-Methoxy-2-[4-(1-([6-(trifluoromethyl)pyridin-3-yl]methyl)piperidin-4-yl)piperazin-1-yl]pyrimidine

CAS

909670-75-3

Catalog Number

ACM909670753

Category

Other Products

Molecular Weight

436.4738896

Molecular Formula

C₂₁H₂₇F₃N₆O

MSDS COA Spec Sheet

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Specification

Synonyms

4-METHOXY-2-[4-(1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)PIPERIDIN-4-YL)PIPERAZIN-1-YL]PYRIMIDINE;PYRIMIDINE, 4-METHOXY-2-[4-[1-[[6-(TRIFLUOROMETHYL)-3-PYRIDINYL]METHYL]-4-PIPERIDINYL]-1-PIPERAZINYL]-

What is the molecular formula of the compound with PubChem CID 24736947?

The molecular formula is C21H27F3N6O.

What is the molecular weight of the compound?

The molecular weight is 436.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-methoxy-2-[4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]piper azin-1-yl]pyrimidine.

What is the InChI of the compound?

The InChI is given as InChI=1S/C21H27F3N6O/c1-31-19-4-7-25-20(27-19)30-12-10-29(11-13-30)17-5-8-28(9-6-17)15-16-2-3-18(26-14-16)21(22,23)24/h2-4,7,14,17H,5-6,8-13,15H2,1H3.

What is the InChIKey of the compound?

The InChIKey is QBPJCPMOYGAXLW-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is COC1=NC(=NC=C1)N2CCN(CC2)C3CCN(CC3)CC4=CN=C(C=C4)C(F)(F)F.

How many hydrogen bond acceptors does the compound have?

The compound has 10 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 57.6 Å².

How many rotatable bonds does the compound have?

The compound has 5 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.