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

C28H26N4O3 — CID 10814055

IUPACmethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C
InChIInChI=1S/C28H26N4O3/c1-17(2)31-16-22(26-21(28(34)35-4)6-5-7-25(26)31)27(33)20-10-8-19(9-11-20)15-32-18(3)30-23-14-29-13-12-24(23)32/h5-14,16-17H,15H2,1-4H3
InChIKeyGNPNYMFYLRABBZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.34
Rot. Bonds6

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

methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate (PubChem CID 10814055) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate
PubChem CID10814055
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C
InChIInChI=1S/C28H26N4O3/c1-17(2)31-16-22(26-21(28(34)35-4)6-5-7-25(26)31)27(33)20-10-8-19(9-11-20)15-32-18(3)30-23-14-29-13-12-24(23)32/h5-14,16-17H,15H2,1-4H3
InChIKeyGNPNYMFYLRABBZ-UHFFFAOYSA-N
XLogP5.34
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10529249
6-Benzofuran-2-yl-1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10531810
4-Methyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10694900
1-Dimethylcarbamoyl-3-[4-(2-methyl-benzoimidazol-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10791349
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1-(propane-2-sulfonyl)-1H-indole-4-carboxylic acid methyl ester
CID 10792315
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid benzyl ester
CID 10816905
1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10841126
4-ethyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10624048
1-Dimethylcarbamoyl-3-{2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-acetyl}-1H-indole-4-carboxylic acid methyl ester
CID 10767539
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-6-phenylethynyl-1H-indole-4-carboxylic acid methyl ester
CID 10793625
1-(3,3-Dimethyl-2-oxo-butyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 44385903
4-Ethynyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 9847128

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate?
The IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate (CID 10814055) is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate.
What is the SMILES notation for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate?
The canonical SMILES for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate is COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C.
What is the InChIKey of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate?
The InChIKey is GNPNYMFYLRABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-17(2)31-16-22(26-21(28(34)35-4)6-5-7-25(26)31)27(33)20-10-8-19(9-11-20)15-32-18(3)30-23-14-29-13-12-24(23)32/h5-14,16-17H,15H2,1-4H3.
What are the key properties of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate?
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate is sourced from PubChem (CID 10814055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).