4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide

C27H25N5O3 — CID 10790411

IUPAC4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=C4C(=CC=C5)OC)C(=O)N(C)C)C=CN=C2
InChIInChI=1S/C27H25N5O3/c1-17-29-21-14-28-13-12-22(21)31(17)15-18-8-10-19(11-9-18)26(33)20-16-32(27(34)30(2)3)23-6-5-7-24(35-4)25(20)23/h5-14,16H,15H2,1-4H3
InChIKeyIRCLLIOYAHORDE-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.60
Rot. Bonds5

About 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide

4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide (PubChem CID 10790411) has the molecular formula C27H25N5O3 and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
PubChem CID10790411
Molecular FormulaC27H25N5O3
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=C4C(=CC=C5)OC)C(=O)N(C)C)C=CN=C2
InChIInChI=1S/C27H25N5O3/c1-17-29-21-14-28-13-12-22(21)31(17)15-18-8-10-19(11-9-18)26(33)20-16-32(27(34)30(2)3)23-6-5-7-24(35-4)25(20)23/h5-14,16H,15H2,1-4H3
InChIKeyIRCLLIOYAHORDE-UHFFFAOYSA-N
XLogP3.60
TPSA82.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity770

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
Bet-IN-1
CID 71258968
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
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid benzyl ester
CID 10816905
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11260078
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethoxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76903329
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
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-2-carboxylic acid methyl ester
CID 11797983

Frequently Asked Questions

What is the IUPAC name of 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide?
The IUPAC name of 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide (CID 10790411) is 4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide?
The canonical SMILES for 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide is CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=C4C(=CC=C5)OC)C(=O)N(C)C)C=CN=C2.
What is the InChIKey of 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide?
The InChIKey is IRCLLIOYAHORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-17-29-21-14-28-13-12-22(21)31(17)15-18-8-10-19(11-9-18)26(33)20-16-32(27(34)30(2)3)23-6-5-7-24(35-4)25(20)23/h5-14,16H,15H2,1-4H3.
What are the key properties of 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide?
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide has a molecular weight of 467.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide is sourced from PubChem (CID 10790411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).