1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C28H22ClN5O4S — CID 155648321

IUPAC1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(=O)n(Cc6ccc(Cl)cc6)c5c4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C28H22ClN5O4S/c1-17-3-9-21(10-4-17)39(37,38)34-12-11-22-23(16-32(2)27(35)25(22)34)19-13-24-26(30-14-19)31-28(36)33(24)15-18-5-7-20(29)8-6-18/h3-14,16H,15H2,1-2H3,(H,30,31,36)
InChIKeyGFQHTUMQHHMMFH-UHFFFAOYSA-N
MW560.04 g/mol
LogP4.29
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 155648321) has the molecular formula C28H22ClN5O4S and a molecular weight of 560.04 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID155648321
Molecular FormulaC28H22ClN5O4S
Molecular Weight560.04 g/mol
Exact Mass559.11
IUPAC Name1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(=O)n(Cc6ccc(Cl)cc6)c5c4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C28H22ClN5O4S/c1-17-3-9-21(10-4-17)39(37,38)34-12-11-22-23(16-32(2)27(35)25(22)34)19-13-24-26(30-14-19)31-28(36)33(24)15-18-5-7-20(29)8-6-18/h3-14,16H,15H2,1-2H3,(H,30,31,36)
InChIKeyGFQHTUMQHHMMFH-UHFFFAOYSA-N
XLogP4.29
TPSA111.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.04
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 155648321) is 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(=O)n(Cc6ccc(Cl)cc6)c5c4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GFQHTUMQHHMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O4S/c1-17-3-9-21(10-4-17)39(37,38)34-12-11-22-23(16-32(2)27(35)25(22)34)19-13-24-26(30-14-19)31-28(36)33(24)15-18-5-7-20(29)8-6-18/h3-14,16H,15H2,1-2H3,(H,30,31,36).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 560.04 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155648321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).