methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate

C29H25N3O4S — CID 146634333

IUPACmethyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H25N3O4S/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23/h2-19H,20-21H2,1H3
InChIKeyWIWMIPDASVVDRI-UHFFFAOYSA-N
MW511.60 g/mol
LogP5.27
Rot. Bonds8

About methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634333) has the molecular formula C29H25N3O4S and a molecular weight of 511.60 g/mol. Its IUPAC name is methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634333
Molecular FormulaC29H25N3O4S
Molecular Weight511.60 g/mol
Exact Mass511.16
IUPAC Namemethyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H25N3O4S/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23/h2-19H,20-21H2,1H3
InChIKeyWIWMIPDASVVDRI-UHFFFAOYSA-N
XLogP5.27
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 1482203
Methyl 3-(benzylamino)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridine-6-carboxylate
CID 155521560
Ethyl 2-[2''-(tert-butylsulfamoyl)-3-fluorobiphenyl-4-yl]imidazo[1,2-a]pyridine-5-carboxylate
CID 118603042
Methyl 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 15866752
1-benzenesulfonyl-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester
CID 15866753
methyl 9-(benzenesulfonyl)-9H-pyrido[2,3-b]indole-5-carboxylate
CID 23243189
Methyl 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 40128102
methyl 6-[2-(1H-indol-3-yl)ethylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate
CID 45898717
2-(Dibenzylamino)-5-(4-fluorobenzenesulfonamido)pyridine-3-carboxylic acid
CID 53001977
2-(Dibenzylamino)-5-(3-fluorobenzenesulfonamido)pyridine-3-carboxylic acid
CID 53024621
Ethyl 7-[(4-fluorophenyl)sulfonyl-methylamino]-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 22322153
Methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24992527

Frequently Asked Questions

What is the IUPAC name of methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634333) is methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is WIWMIPDASVVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4S/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23/h2-19H,20-21H2,1H3.
What are the key properties of methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 511.60 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(benzenesulfonyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).