methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

C27H25N5O5S — CID 10839974

IUPACmethyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C
InChIInChI=1S/C27H25N5O5S/c1-17-29-22-14-28-13-12-23(22)31(17)15-18-8-10-19(11-9-18)26(33)21-16-32(38(35,36)30(2)3)24-7-5-6-20(25(21)24)27(34)37-4/h5-14,16H,15H2,1-4H3
InChIKeyJMKCCQXMGNDKRM-UHFFFAOYSA-N
MW531.59 g/mol
LogP3.41
Rot. Bonds7

About methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate (PubChem CID 10839974) has the molecular formula C27H25N5O5S and a molecular weight of 531.59 g/mol. Its IUPAC name is methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
PubChem CID10839974
Molecular FormulaC27H25N5O5S
Molecular Weight531.59 g/mol
Exact Mass531.16
IUPAC Namemethyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C
InChIInChI=1S/C27H25N5O5S/c1-17-29-22-14-28-13-12-23(22)31(17)15-18-8-10-19(11-9-18)26(33)21-16-32(38(35,36)30(2)3)24-7-5-6-20(25(21)24)27(34)37-4/h5-14,16H,15H2,1-4H3
InChIKeyJMKCCQXMGNDKRM-UHFFFAOYSA-N
XLogP3.41
TPSA116.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The IUPAC name of methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate (CID 10839974) is methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate.
What is the SMILES notation for methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The canonical SMILES for methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate is COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)N(C)C.
What is the InChIKey of methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The InChIKey is JMKCCQXMGNDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5S/c1-17-29-22-14-28-13-12-23(22)31(17)15-18-8-10-19(11-9-18)26(33)21-16-32(38(35,36)30(2)3)24-7-5-6-20(25(21)24)27(34)37-4/h5-14,16H,15H2,1-4H3.
What are the key properties of methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate has a molecular weight of 531.59 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylsulfamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate is sourced from PubChem (CID 10839974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).