N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide

C23H21ClN4O4S — CID 66557570

IUPACN-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccc(Cl)cc3)nc(-c3ccco3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C23H21ClN4O4S/c1-14-26-21-19(28(14)17-8-10-33(30,31)13-17)11-18(20-3-2-9-32-20)27-22(21)23(29)25-12-15-4-6-16(24)7-5-15/h2-7,9,11,17H,8,10,12-13H2,1H3,(H,25,29)
InChIKeyVQNXYOVQMJRZAK-UHFFFAOYSA-N
MW484.97 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 66557570) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID66557570
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccc(Cl)cc3)nc(-c3ccco3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C23H21ClN4O4S/c1-14-26-21-19(28(14)17-8-10-33(30,31)13-17)11-18(20-3-2-9-32-20)27-22(21)23(29)25-12-15-4-6-16(24)7-5-15/h2-7,9,11,17H,8,10,12-13H2,1H3,(H,25,29)
InChIKeyVQNXYOVQMJRZAK-UHFFFAOYSA-N
XLogP3.94
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide (CID 66557570) is N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide is Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)nc(-c3ccco3)cc2n1C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is VQNXYOVQMJRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-14-26-21-19(28(14)17-8-10-33(30,31)13-17)11-18(20-3-2-9-32-20)27-22(21)23(29)25-12-15-4-6-16(24)7-5-15/h2-7,9,11,17H,8,10,12-13H2,1H3,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 66557570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).