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

C23H16Cl2N6O — CID 118665343

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

N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665343) has the molecular formula C23H16Cl2N6O and a molecular weight of 463.33 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118665343
• Molecular Formula: C23H16Cl2N6O
• Molecular Weight: 463.33 g/mol
• Exact Mass: 462.08
• IUPAC Name: N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: O=C(NCc1cnc2ncc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
• InChI: InChI=1S/C23H16Cl2N6O/c24-17-7-16-5-14(1-2-21(16)27-9-17)6-19-8-15(3-4-26-19)22(32)28-11-20-12-30-23-29-10-18(25)13-31(20)23/h1-5,7-10,12-13H,6,11H2,(H,28,32)
• InChIKey: XQDDXYPQKRKBDF-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.33
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665343) is N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is O=C(NCc1cnc2ncc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.

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

The InChIKey is XQDDXYPQKRKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O/c24-17-7-16-5-14(1-2-21(16)27-9-17)6-19-8-15(3-4-26-19)22(32)28-11-20-12-30-23-29-10-18(25)13-31(20)23/h1-5,7-10,12-13H,6,11H2,(H,28,32).

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

N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).