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

C23H21ClN6O3 — CID 85471524

IUPACN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CCNCC4)cc3[nH]2)c1)c1ccco1
InChIInChI=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)
InChIKeyLKYWICGQPKLXGX-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.06
Rot. Bonds5

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 NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide
PubChem CID85471524
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(NC(=O)C4CCNCC4)cc3[nH]2)c1)c1ccco1
InChIInChI=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)
InChIKeyLKYWICGQPKLXGX-UHFFFAOYSA-N
XLogP4.06
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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).