N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

C24H17Cl2N5O — CID 118665434

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665434) has the molecular formula C24H17Cl2N5O and a molecular weight of 462.34 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118665434
• Molecular Formula: C24H17Cl2N5O
• Molecular Weight: 462.34 g/mol
• Exact Mass: 461.08
• IUPAC Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)cc12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
• InChI: InChI=1S/C24H17Cl2N5O/c25-18-4-6-31-14-30-22(23(31)11-18)13-29-24(32)16-3-5-27-20(10-16)8-15-1-2-21-17(7-15)9-19(26)12-28-21/h1-7,9-12,14H,8,13H2,(H,29,32)
• InChIKey: XLKFBGCZLDPHJM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.34
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665434) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.

What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The InChIKey is XLKFBGCZLDPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O/c25-18-4-6-31-14-30-22(23(31)11-18)13-29-24(32)16-3-5-27-20(10-16)8-15-1-2-21-17(7-15)9-19(26)12-28-21/h1-7,9-12,14H,8,13H2,(H,29,32).

What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 462.34 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).