2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide

C34H32N6O3 — CID 170557606

IUPAC2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2ccn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C34H32N6O3/c1-18(2)40-13-12-24-26(33(42)36-17-27-19(3)14-20(4)37-34(27)43)15-23(16-29(24)40)21-8-10-22(11-9-21)32-38-28-7-5-6-25(31(35)41)30(28)39-32/h5-16,18H,17H2,1-4H3,(H2,35,41)(H,36,42)(H,37,43)(H,38,39)
InChIKeyBNMPJJOZINHNHQ-UHFFFAOYSA-N
MW572.67 g/mol
LogP5.77
Rot. Bonds7

About 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 170557606) has the molecular formula C34H32N6O3 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID170557606
Molecular FormulaC34H32N6O3
Molecular Weight572.67 g/mol
Exact Mass572.25
IUPAC Name2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2ccn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C34H32N6O3/c1-18(2)40-13-12-24-26(33(42)36-17-27-19(3)14-20(4)37-34(27)43)15-23(16-29(24)40)21-8-10-22(11-9-21)32-38-28-7-5-6-25(31(35)41)30(28)39-32/h5-16,18H,17H2,1-4H3,(H2,35,41)(H,36,42)(H,37,43)(H,38,39)
InChIKeyBNMPJJOZINHNHQ-UHFFFAOYSA-N
XLogP5.77
TPSA138.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 55.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide 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 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide (CID 170557606) is 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)cc3c2ccn3C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BNMPJJOZINHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O3/c1-18(2)40-13-12-24-26(33(42)36-17-27-19(3)14-20(4)37-34(27)43)15-23(16-29(24)40)21-8-10-22(11-9-21)32-38-28-7-5-6-25(31(35)41)30(28)39-32/h5-16,18H,17H2,1-4H3,(H2,35,41)(H,36,42)(H,37,43)(H,38,39).
What are the key properties of 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 572.67 g/mol, XLogP of 5.77, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 170557606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).