6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one

C29H28N6O5S2 — CID 118863319

IUPAC6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cc(S(=O)(=O)N5CCCC5)cnc4Nc4ccccn4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C29H28N6O5S2/c1-20-8-10-21(11-9-20)42(39,40)35-16-12-23-25(19-33(2)29(36)27(23)35)24-17-22(41(37,38)34-14-5-6-15-34)18-31-28(24)32-26-7-3-4-13-30-26/h3-4,7-13,16-19H,5-6,14-15H2,1-2H3,(H,30,31,32)
InChIKeyDQSBZEAAMCNECB-UHFFFAOYSA-N
MW604.71 g/mol
LogP3.87
Rot. Bonds7

About 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one

6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one (PubChem CID 118863319) has the molecular formula C29H28N6O5S2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one
PubChem CID118863319
Molecular FormulaC29H28N6O5S2
Molecular Weight604.71 g/mol
Exact Mass604.16
IUPAC Name6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cc(S(=O)(=O)N5CCCC5)cnc4Nc4ccccn4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C29H28N6O5S2/c1-20-8-10-21(11-9-20)42(39,40)35-16-12-23-25(19-33(2)29(36)27(23)35)24-17-22(41(37,38)34-14-5-6-15-34)18-31-28(24)32-26-7-3-4-13-30-26/h3-4,7-13,16-19H,5-6,14-15H2,1-2H3,(H,30,31,32)
InChIKeyDQSBZEAAMCNECB-UHFFFAOYSA-N
XLogP3.87
TPSA136.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.71
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one (CID 118863319) is 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(S(=O)(=O)N5CCCC5)cnc4Nc4ccccn4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is DQSBZEAAMCNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O5S2/c1-20-8-10-21(11-9-20)42(39,40)35-16-12-23-25(19-33(2)29(36)27(23)35)24-17-22(41(37,38)34-14-5-6-15-34)18-31-28(24)32-26-7-3-4-13-30-26/h3-4,7-13,16-19H,5-6,14-15H2,1-2H3,(H,30,31,32).
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one?
6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 604.71 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 118863319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).