N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide

C24H22FN5O3S — CID 155461058

IUPACN-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1nc(-c1cn(C)c3c(=O)[nH]ccc13)n2Cc1ccc(F)cc1
InChIInChI=1S/C24H22FN5O3S/c1-3-34(32,33)28-19-5-4-6-20-21(19)27-23(30(20)13-15-7-9-16(25)10-8-15)18-14-29(2)22-17(18)11-12-26-24(22)31/h4-12,14,28H,3,13H2,1-2H3,(H,26,31)
InChIKeyRSHYCSPYNOUTHD-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide

N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide (PubChem CID 155461058) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide
PubChem CID155461058
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1nc(-c1cn(C)c3c(=O)[nH]ccc13)n2Cc1ccc(F)cc1
InChIInChI=1S/C24H22FN5O3S/c1-3-34(32,33)28-19-5-4-6-20-21(19)27-23(30(20)13-15-7-9-16(25)10-8-15)18-14-29(2)22-17(18)11-12-26-24(22)31/h4-12,14,28H,3,13H2,1-2H3,(H,26,31)
InChIKeyRSHYCSPYNOUTHD-UHFFFAOYSA-N
XLogP3.83
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide 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 N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide (CID 155461058) is N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc2c1nc(-c1cn(C)c3c(=O)[nH]ccc13)n2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide?
The InChIKey is RSHYCSPYNOUTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-3-34(32,33)28-19-5-4-6-20-21(19)27-23(30(20)13-15-7-9-16(25)10-8-15)18-14-29(2)22-17(18)11-12-26-24(22)31/h4-12,14,28H,3,13H2,1-2H3,(H,26,31).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide has a molecular weight of 479.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)benzimidazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155461058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).