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

C24H23ClN6O3 — CID 85470967

IUPACN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)CC1
InChIInChI=1S/C24H23ClN6O3/c1-31-8-6-14(7-9-31)23(32)28-16-12-19-22(26-13-16)30-21(29-19)17-11-15(4-5-18(17)25)27-24(33)20-3-2-10-34-20/h2-5,10-14H,6-9H2,1H3,(H,27,33)(H,28,32)(H,26,29,30)
InChIKeyDQALWESPZXOQCK-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.40
Rot. Bonds5

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

N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 85470967) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide
PubChem CID85470967
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)CC1
InChIInChI=1S/C24H23ClN6O3/c1-31-8-6-14(7-9-31)23(32)28-16-12-19-22(26-13-16)30-21(29-19)17-11-15(4-5-18(17)25)27-24(33)20-3-2-10-34-20/h2-5,10-14H,6-9H2,1H3,(H,27,33)(H,28,32)(H,26,29,30)
InChIKeyDQALWESPZXOQCK-UHFFFAOYSA-N
XLogP4.40
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.40
H-Bond Donors ≤ 53
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]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide (CID 85470967) is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-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]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)CC1.
What is the InChIKey of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is DQALWESPZXOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-31-8-6-14(7-9-31)23(32)28-16-12-19-22(26-13-16)30-21(29-19)17-11-15(4-5-18(17)25)27-24(33)20-3-2-10-34-20/h2-5,10-14H,6-9H2,1H3,(H,27,33)(H,28,32)(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]-1-methylpiperidine-4-carboxamide?
N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 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]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 85470967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).