4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

C30H25N5O3 — CID 10744089

IUPAC4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1
InChIInChI=1S/C30H25N5O3/c1-19-32-24-16-31-14-13-25(24)34(19)17-20-9-11-21(12-10-20)29(36)23-18-35(30(37)33(2)3)26-7-4-6-22(28(23)26)27-8-5-15-38-27/h4-16,18H,17H2,1-3H3
InChIKeyGBUXOPJXERFHFW-UHFFFAOYSA-N
MW503.56 g/mol
LogP5.76
Rot. Bonds5

About 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 10744089) has the molecular formula C30H25N5O3 and a molecular weight of 503.56 g/mol. Its IUPAC name is 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID10744089
Molecular FormulaC30H25N5O3
Molecular Weight503.56 g/mol
Exact Mass503.20
IUPAC Name4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1
InChIInChI=1S/C30H25N5O3/c1-19-32-24-16-31-14-13-25(24)34(19)17-20-9-11-21(12-10-20)29(36)23-18-35(30(37)33(2)3)26-7-4-6-22(28(23)26)27-8-5-15-38-27/h4-16,18H,17H2,1-3H3
InChIKeyGBUXOPJXERFHFW-UHFFFAOYSA-N
XLogP5.76
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
1-Dimethylcarbamoyl-3-[4-(2-methyl-benzoimidazol-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10791349
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
3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5n)
CID 118704643
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
1-Dimethylcarbamoyl-3-[7-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-heptanoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10505183
3-[4-(2-Methyl-benzoimidazol-1-ylmethyl)-benzoyl]-1-(pyrrolidine-1-carbonyl)-1H-indole-4-carboxylic acid methyl ester
CID 10506156
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10550254

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 10744089) is 4-(furan-2-yl)-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-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(-c4ccco4)c23)cc1.
What is the InChIKey of 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is GBUXOPJXERFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O3/c1-19-32-24-16-31-14-13-25(24)34(19)17-20-9-11-21(12-10-20)29(36)23-18-35(30(37)33(2)3)26-7-4-6-22(28(23)26)27-8-5-15-38-27/h4-16,18H,17H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 10744089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).