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

C30H28ClN5O3 — CID 85472229

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

N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 85472229) has the molecular formula C30H28ClN5O3 and a molecular weight of 542.04 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
• PubChem CID: 85472229
• Molecular Formula: C30H28ClN5O3
• Molecular Weight: 542.04 g/mol
• Exact Mass: 541.19
• IUPAC Name: N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4OCCN4CCCCC4)cc3[nH]2)c1)c1ccco1
• InChI: InChI=1S/C30H28ClN5O3/c31-24-11-10-21(33-30(37)27-9-6-15-38-27)18-23(24)28-34-25-17-20(19-32-29(25)35-28)22-7-2-3-8-26(22)39-16-14-36-12-4-1-5-13-36/h2-3,6-11,15,17-19H,1,4-5,12-14,16H2,(H,33,37)(H,32,34,35)
• InChIKey: ITMCCJNKHXEASE-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.04
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 85472229) is N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4OCCN4CCCCC4)cc3[nH]2)c1)c1ccco1.

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

The InChIKey is ITMCCJNKHXEASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O3/c31-24-11-10-21(33-30(37)27-9-6-15-38-27)18-23(24)28-34-25-17-20(19-32-29(25)35-28)22-7-2-3-8-26(22)39-16-14-36-12-4-1-5-13-36/h2-3,6-11,15,17-19H,1,4-5,12-14,16H2,(H,33,37)(H,32,34,35).

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

N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 542.04 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 85472229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).