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

C24H17ClN6O3 — CID 85472624

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

N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide (PubChem CID 85472624) has the molecular formula C24H17ClN6O3 and a molecular weight of 472.89 g/mol. Its IUPAC name is N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
• PubChem CID: 85472624
• Molecular Formula: C24H17ClN6O3
• Molecular Weight: 472.89 g/mol
• Exact Mass: 472.11
• IUPAC Name: N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
• SMILES: NC(=O)Nc1ccc(-c2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)cc1
• InChI: InChI=1S/C24H17ClN6O3/c25-18-8-7-16(28-23(32)20-2-1-9-34-20)11-17(18)21-30-19-10-14(12-27-22(19)31-21)13-3-5-15(6-4-13)29-24(26)33/h1-12H,(H,28,32)(H3,26,29,33)(H,27,30,31)
• InChIKey: IBGSTSXQUNVGEA-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 138.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.89
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide (CID 85472624) is N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide is NC(=O)Nc1ccc(-c2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)cc1.

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

The InChIKey is IBGSTSXQUNVGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O3/c25-18-8-7-16(28-23(32)20-2-1-9-34-20)11-17(18)21-30-19-10-14(12-27-22(19)31-21)13-3-5-15(6-4-13)29-24(26)33/h1-12H,(H,28,32)(H3,26,29,33)(H,27,30,31).

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

N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide has a molecular weight of 472.89 g/mol, XLogP of 5.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 85472624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).