N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H18ClN7O — CID 118665307

About N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665307) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118665307
• Molecular Formula: C23H18ClN7O
• Molecular Weight: 443.90 g/mol
• Exact Mass: 443.13
• IUPAC Name: N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: Nc1ncc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ncn12
• InChI: InChI=1S/C23H18ClN7O/c24-17-7-16-5-14(1-2-21(16)27-10-17)6-18-8-15(3-4-26-18)22(32)28-11-19-9-20-12-29-23(25)31(20)13-30-19/h1-5,7-10,12-13H,6,11H2,(H2,25,29)(H,28,32)
• InChIKey: KIPFEXMJECUHCN-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.90
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665307) is N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is Nc1ncc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ncn12.

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

The InChIKey is KIPFEXMJECUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c24-17-7-16-5-14(1-2-21(16)27-10-17)6-18-8-15(3-4-26-18)22(32)28-11-19-9-20-12-29-23(25)31(20)13-30-19/h1-5,7-10,12-13H,6,11H2,(H2,25,29)(H,28,32).

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

N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).