5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C54H46N10O2 — CID 123147124

IUPAC5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1
InChIInChI=1S/2C27H23N5O/c2*1-18-14-21(15-23-7-3-4-12-28-23)25(29-16-18)27(33)30-22-10-8-20(9-11-22)24-17-32-13-5-6-19(2)26(32)31-24/h2*3-14,16-17H,15H2,1-2H3,(H,30,33)
InChIKeyPZCPJNJGLYYZNS-UHFFFAOYSA-N
MW867.03 g/mol
LogP10.50
Rot. Bonds10

About 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 123147124) has the molecular formula C54H46N10O2 and a molecular weight of 867.03 g/mol. Its IUPAC name is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID123147124
Molecular FormulaC54H46N10O2
Molecular Weight867.03 g/mol
Exact Mass866.38
IUPAC Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1
InChIInChI=1S/2C27H23N5O/c2*1-18-14-21(15-23-7-3-4-12-28-23)25(29-16-18)27(33)30-22-10-8-20(9-11-22)24-17-32-13-5-6-19(2)26(32)31-24/h2*3-14,16-17H,15H2,1-2H3,(H,30,33)
InChIKeyPZCPJNJGLYYZNS-UHFFFAOYSA-N
XLogP10.50
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.03
LogP ≤ 510.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 123147124) is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccccn2)c1.
What is the InChIKey of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PZCPJNJGLYYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N5O/c2*1-18-14-21(15-23-7-3-4-12-28-23)25(29-16-18)27(33)30-22-10-8-20(9-11-22)24-17-32-13-5-6-19(2)26(32)31-24/h2*3-14,16-17H,15H2,1-2H3,(H,30,33).
What are the key properties of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 867.03 g/mol, XLogP of 10.50, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 123147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).