5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H21F2N3O4S — CID 25225825

IUPAC5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F
InChIInChI=1S/C24H21F2N3O4S/c1-3-14-11-17-20(12-19(14)26)29(13-15-7-4-5-9-18(15)25)22(24(31)28-34(2,32)33)21(17)16-8-6-10-27-23(16)30/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNGVLNYBWGNMKST-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.57
Rot. Bonds6

About 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25225825) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25225825
Molecular FormulaC24H21F2N3O4S
Molecular Weight485.51 g/mol
Exact Mass485.12
IUPAC Name5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F
InChIInChI=1S/C24H21F2N3O4S/c1-3-14-11-17-20(12-19(14)26)29(13-15-7-4-5-9-18(15)25)22(24(31)28-34(2,32)33)21(17)16-8-6-10-27-23(16)30/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyNGVLNYBWGNMKST-UHFFFAOYSA-N
XLogP3.57
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-fluoro-1-[(6-fluoro-6-methylcyclohexen-1-yl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 163845384
5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132469
1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxamide
CID 25167972
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224866
5-chloro-1-[(2-fluoro-5-methylsulfinylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821730
1-[(2-fluorophenyl)methyl]-N-(3-methylsulfonylpropylsulfonyl)-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 58132651
7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide
CID 25109155
N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxamide
CID 25109331
5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 161123093
1-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821636
ethyl 3-[[1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carbonyl]sulfamoyl]propanoate
CID 58132776
1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225634

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25225825) is 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F.
What is the InChIKey of 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is NGVLNYBWGNMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c1-3-14-11-17-20(12-19(14)26)29(13-15-7-4-5-9-18(15)25)22(24(31)28-34(2,32)33)21(17)16-8-6-10-27-23(16)30/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).