3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one

C22H16F2N2O2 — CID 143773929

IUPAC3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc[nH]c2=O)c2ccccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C22H16F2N2O2/c1-13(27)21-20(17-6-4-10-25-22(17)28)16-5-2-3-7-19(16)26(21)12-14-11-15(23)8-9-18(14)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyXSCSZHNTIGPIPQ-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.53
Rot. Bonds4

About 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one

3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one (PubChem CID 143773929) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
PubChem CID143773929
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc[nH]c2=O)c2ccccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C22H16F2N2O2/c1-13(27)21-20(17-6-4-10-25-22(17)28)16-5-2-3-7-19(16)26(21)12-14-11-15(23)8-9-18(14)24/h2-11H,12H2,1H3,(H,25,28)
InChIKeyXSCSZHNTIGPIPQ-UHFFFAOYSA-N
XLogP4.53
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-5-[(1S,2R)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 163611991
6-[(2,5-difluorophenyl)methyl]-3-methyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25173785
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
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[3,2-e]indole-7-carboxylic acid
CID 25173464
3-[5-[(2,5-difluorophenyl)methyl]-6-(2-methylsulfonylacetyl)-2,3-dihydrofuro[2,3-f]indol-7-yl]-1H-pyridin-2-one
CID 59622975
1-[(2,5-difluorophenyl)methyl]-5-[(2S)-2-methylcyclopropyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
CID 58132280
3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
CID 59622954
3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one
CID 58240889
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
ethane;ethyl 5-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate;methanol
CID 143773578
5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
CID 87168097
3-[2-acetyl-1-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
CID 59622956

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one (CID 143773929) is 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one is CC(=O)c1c(-c2ccc[nH]c2=O)c2ccccc2n1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one?
The InChIKey is XSCSZHNTIGPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c1-13(27)21-20(17-6-4-10-25-22(17)28)16-5-2-3-7-19(16)26(21)12-14-11-15(23)8-9-18(14)24/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one?
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one has a molecular weight of 378.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 143773929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).