1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid

C27H23N5O4 — CID 10743377

IUPAC1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1
InChIInChI=1S/C27H23N5O4/c1-16-29-21-13-28-12-11-22(21)31(16)14-17-7-9-18(10-8-17)25(33)20-15-32(27(36)30(2)3)23-6-4-5-19(24(20)23)26(34)35/h4-13,15H,14H2,1-3H3,(H,34,35)
InChIKeyUFXONESIAYBMHL-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.20
Rot. Bonds5

About 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid

1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid (PubChem CID 10743377) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid
PubChem CID10743377
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1
InChIInChI=1S/C27H23N5O4/c1-16-29-21-13-28-12-11-22(21)31(16)14-17-7-9-18(10-8-17)25(33)20-15-32(27(36)30(2)3)23-6-4-5-19(24(20)23)26(34)35/h4-13,15H,14H2,1-3H3,(H,34,35)
InChIKeyUFXONESIAYBMHL-UHFFFAOYSA-N
XLogP4.20
TPSA110.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid 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 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid?
The IUPAC name of 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid (CID 10743377) is 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid.
What is the SMILES notation for 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid?
The canonical SMILES for 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)O)c23)cc1.
What is the InChIKey of 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid?
The InChIKey is UFXONESIAYBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-16-29-21-13-28-12-11-22(21)31(16)14-17-7-9-18(10-8-17)25(33)20-15-32(27(36)30(2)3)23-6-4-5-19(24(20)23)26(34)35/h4-13,15H,14H2,1-3H3,(H,34,35).
What are the key properties of 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid?
1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid has a molecular weight of 481.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylcarbamoyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylic acid is sourced from PubChem (CID 10743377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).