3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one

C25H20F2N2O5S — CID 59622975

IUPAC3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C25H20F2N2O5S/c1-35(32,33)13-21(30)24-23(17-3-2-7-28-25(17)31)18-11-22-14(6-8-34-22)10-20(18)29(24)12-15-9-16(26)4-5-19(15)27/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,28,31)
InChIKeyBKSDPNUUXKXRAP-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.49
Rot. Bonds6

About 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one

3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one (PubChem CID 59622975) has the molecular formula C25H20F2N2O5S and a molecular weight of 498.51 g/mol. Its IUPAC name is 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one
PubChem CID59622975
Molecular FormulaC25H20F2N2O5S
Molecular Weight498.51 g/mol
Exact Mass498.11
IUPAC Name3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C25H20F2N2O5S/c1-35(32,33)13-21(30)24-23(17-3-2-7-28-25(17)31)18-11-22-14(6-8-34-22)10-20(18)29(24)12-15-9-16(26)4-5-19(15)27/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,28,31)
InChIKeyBKSDPNUUXKXRAP-UHFFFAOYSA-N
XLogP3.49
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
CID 59622954
1-[(2,5-difluorophenyl)methyl]-5-[(1S,2R)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 163611991
1-[(2,5-difluorophenyl)methyl]-5-[(2S)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
CID 58132280
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
CID 25173464
6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25173785
3-[5-tert-butyl-2-(2-cyclopropylsulfonylacetyl)-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 58132435
methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2,3,4-tetrahydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate
CID 163457102
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
CID 59283330
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
1-[(2,5-difluorophenyl)methyl]-6-fluoro-4-methyl-3-(2-oxo-1H-pyridin-3-yl)-5-[(Z)-prop-1-enyl]indole-2-carboxylic acid
CID 143715603

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one (CID 59622975) is 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one is CS(=O)(=O)CC(=O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3.
What is the InChIKey of 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one?
The InChIKey is BKSDPNUUXKXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O5S/c1-35(32,33)13-21(30)24-23(17-3-2-7-28-25(17)31)18-11-22-14(6-8-34-22)10-20(18)29(24)12-15-9-16(26)4-5-19(15)27/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,28,31).
What are the key properties of 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one?
3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one has a molecular weight of 498.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59622975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).