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

C₂₃H₂₁ClN₆O₃ — CID 85471524

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

N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide (PubChem CID 85471524) has the molecular formula C₂₃H₂₁ClN₆O₃ and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide
• PubChem CID: 85471524
• Molecular Formula: C₂₃H₂₁ClN₆O₃
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.14
• IUPAC Name: N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CCNCC4)cc3[nH]2)c1)c1ccco1
• InChI: InChI=1S/C23H21ClN6O3/c24-17-4-3-14(27-23(32)19-2-1-9-33-19)10-16(17)20-29-18-11-15(12-26-21(18)30-20)28-22(31)13-5-7-25-8-6-13/h1-4,9-13,25H,5-8H2,(H,27,32)(H,28,31)(H,26,29,30)
• InChIKey: LKYWICGQPKLXGX-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 124.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide (CID 85471524) is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CCNCC4)cc3[nH]2)c1)c1ccco1.

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

The InChIKey is LKYWICGQPKLXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c24-17-4-3-14(27-23(32)19-2-1-9-33-19)10-16(17)20-29-18-11-15(12-26-21(18)30-20)28-22(31)13-5-7-25-8-6-13/h1-4,9-13,25H,5-8H2,(H,27,32)(H,28,31)(H,26,29,30).

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

N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 4.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 85471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 85471524 — identifiers, structure, computed properties (public domain)

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