3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C31H38FN3O5S — CID 149492900

IUPAC3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(-c2ccc(F)c(CN(C)C)c2)cc2c1C(C)CN2S(=O)(=O)C(C)C
InChIInChI=1S/C31H38FN3O5S/c1-18(2)41(38,39)35-16-19(3)30-25(28(36)11-9-24-29(40-7)12-20(4)33-31(24)37)14-22(15-27(30)35)21-8-10-26(32)23(13-21)17-34(5)6/h8,10,12-15,18-19H,9,11,16-17H2,1-7H3,(H,33,37)
InChIKeyZFLLZXPMFPVLFI-UHFFFAOYSA-N
MW583.73 g/mol
LogP5.04
Rot. Bonds10

About 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 149492900) has the molecular formula C31H38FN3O5S and a molecular weight of 583.73 g/mol. Its IUPAC name is 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
PubChem CID149492900
Molecular FormulaC31H38FN3O5S
Molecular Weight583.73 g/mol
Exact Mass583.25
IUPAC Name3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(-c2ccc(F)c(CN(C)C)c2)cc2c1C(C)CN2S(=O)(=O)C(C)C
InChIInChI=1S/C31H38FN3O5S/c1-18(2)41(38,39)35-16-19(3)30-25(28(36)11-9-24-29(40-7)12-20(4)33-31(24)37)14-22(15-27(30)35)21-8-10-26(32)23(13-21)17-34(5)6/h8,10,12-15,18-19H,9,11,16-17H2,1-7H3,(H,33,37)
InChIKeyZFLLZXPMFPVLFI-UHFFFAOYSA-N
XLogP5.04
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[3-[6-bromo-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 159549848
6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylic acid;3-[3-[6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;methyl 6-bromo-3-methyl-2,3-dihydro-1H-indole-4-carboxylate;methyl 6-bromo-3-methyl-1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-4-carboxylate;oxane-4-sulfonyl chloride
CID 158915333
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindole-4-carboxamide
CID 142345646
4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159277315
3-[3-[8-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-7-methylpyrrolo[1,2-a]pyrazin-6-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 160520062
3-[3-[1-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 148686072
3-[3-[1-[(1R)-1-cyclohexylethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 161395557
3-[3-[1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 157252166
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide
CID 139543591
3-[3-[7-(1,4-dimethylpyrazol-5-yl)-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 158244499
4-methoxy-6-methyl-3-[3-[3-methyl-6-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-(1-prop-2-enylcyclopropyl)sulfonylindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 158337920
4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 159063050

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 149492900) is 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(-c2ccc(F)c(CN(C)C)c2)cc2c1C(C)CN2S(=O)(=O)C(C)C.
What is the InChIKey of 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
The InChIKey is ZFLLZXPMFPVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN3O5S/c1-18(2)41(38,39)35-16-19(3)30-25(28(36)11-9-24-29(40-7)12-20(4)33-31(24)37)14-22(15-27(30)35)21-8-10-26(32)23(13-21)17-34(5)6/h8,10,12-15,18-19H,9,11,16-17H2,1-7H3,(H,33,37).
What are the key properties of 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?
3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 583.73 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[3-[(dimethylamino)methyl]-4-fluorophenyl]-3-methyl-1-propan-2-ylsulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 149492900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).