3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C26H21ClN4O4S — CID 22485131

IUPAC3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(-c5ccco5)cc4Cl)c3n2)cc1
InChIInChI=1S/C26H21ClN4O4S/c1-16-5-9-20(10-6-16)36(33,34)30-26(32)23-12-11-22-25(29-23)31(17(2)28-22)15-19-8-7-18(14-21(19)27)24-4-3-13-35-24/h3-14H,15H2,1-2H3,(H,30,32)
InChIKeyYQXXEHCNOMPOJU-UHFFFAOYSA-N
MW521.00 g/mol
LogP5.13
Rot. Bonds6

About 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22485131) has the molecular formula C26H21ClN4O4S and a molecular weight of 521.00 g/mol. Its IUPAC name is 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22485131
Molecular FormulaC26H21ClN4O4S
Molecular Weight521.00 g/mol
Exact Mass520.10
IUPAC Name3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(-c5ccco5)cc4Cl)c3n2)cc1
InChIInChI=1S/C26H21ClN4O4S/c1-16-5-9-20(10-6-16)36(33,34)30-26(32)23-12-11-22-25(29-23)31(17(2)28-22)15-19-8-7-18(14-21(19)27)24-4-3-13-35-24/h3-14H,15H2,1-2H3,(H,30,32)
InChIKeyYQXXEHCNOMPOJU-UHFFFAOYSA-N
XLogP5.13
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.00
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22485131) is 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(-c5ccco5)cc4Cl)c3n2)cc1.
What is the InChIKey of 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is YQXXEHCNOMPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4S/c1-16-5-9-20(10-6-16)36(33,34)30-26(32)23-12-11-22-25(29-23)31(17(2)28-22)15-19-8-7-18(14-21(19)27)24-4-3-13-35-24/h3-14H,15H2,1-2H3,(H,30,32).
What are the key properties of 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 521.00 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22485131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).