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

C25H23FN4O3S — CID 155461096

IUPACN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2Cc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3S/c1-3-34(32,33)28-22-12-17(21-15-29(2)24-19(21)8-10-27-25(24)31)13-23-20(22)9-11-30(23)14-16-4-6-18(26)7-5-16/h4-13,15,28H,3,14H2,1-2H3,(H,27,31)
InChIKeyFUKCVOWFVIKRIY-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.44
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (PubChem CID 155461096) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
PubChem CID155461096
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2Cc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3S/c1-3-34(32,33)28-22-12-17(21-15-29(2)24-19(21)8-10-27-25(24)31)13-23-20(22)9-11-30(23)14-16-4-6-18(26)7-5-16/h4-13,15,28H,3,14H2,1-2H3,(H,27,31)
InChIKeyFUKCVOWFVIKRIY-UHFFFAOYSA-N
XLogP4.44
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-8-(1-Methyl-2,2-Dioxo-2,3-Dihydro-1h-2lambda~6~,1-Benzothiazol-5-Yl)-1,6-Naphthyridine-2-Carboxamide
CID 118660787
N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CID 146036007
N-cyclopropylsulfonyl-6-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 156016547
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-ethylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226010
1-[(5-carbamoyl-2-fluoro-phenyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226924
1-[(5-carbamoyl-2-fluoro-phenyl)methyl]-N-cyclopropylsulfonyl-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25227285
3-cyclohexyl-N-(2-dimethylaminoethylsulfonyl)-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 44441608
1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951111
1-[(2,5-difluorophenyl)methyl]-N-isopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951112
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-isopropylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 56951237
2-[5-(Tert-butylsulfonylamino)-2-pyridinyl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide
CID 66798197
8-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-N-methyl-1,6-naphthyridine-2-carboxamide
CID 118660737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide (CID 155461096) is N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
The InChIKey is FUKCVOWFVIKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-3-34(32,33)28-22-12-17(21-15-29(2)24-19(21)8-10-27-25(24)31)13-23-20(22)9-11-30(23)14-16-4-6-18(26)7-5-16/h4-13,15,28H,3,14H2,1-2H3,(H,27,31).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide has a molecular weight of 478.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155461096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).