N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

C24H18ClN5O2 — CID 85472746

About N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472746) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
• PubChem CID: 85472746
• Molecular Formula: C24H18ClN5O2
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.11
• IUPAC Name: N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
• SMILES: Cc1cc(-c2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)cc(C)n1
• InChI: InChI=1S/C24H18ClN5O2/c1-13-8-15(9-14(2)27-13)16-10-20-23(26-12-16)30-22(29-20)18-11-17(5-6-19(18)25)28-24(31)21-4-3-7-32-21/h3-12H,1-2H3,(H,28,31)(H,26,29,30)
• InChIKey: RADXVMWIJWPJNQ-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472746) is N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is Cc1cc(-c2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)cc(C)n1.

What is the InChIKey of N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?

The InChIKey is RADXVMWIJWPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-13-8-15(9-14(2)27-13)16-10-20-23(26-12-16)30-22(29-20)18-11-17(5-6-19(18)25)28-24(31)21-4-3-7-32-21/h3-12H,1-2H3,(H,28,31)(H,26,29,30).

What are the key properties of N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?

N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).