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

C24H20F2N2O — CID 59622954

IUPAC3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
SMILESCc1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCC3
InChIInChI=1S/C24H20F2N2O/c1-14-23(19-6-3-9-27-24(19)29)20-11-15-4-2-5-16(15)12-22(20)28(14)13-17-10-18(25)7-8-21(17)26/h3,6-12H,2,4-5,13H2,1H3,(H,27,29)
InChIKeyLNEAQGJUXCBFRY-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.12
Rot. Bonds3

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

3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (PubChem CID 59622954) has the molecular formula C24H20F2N2O and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
PubChem CID59622954
Molecular FormulaC24H20F2N2O
Molecular Weight390.43 g/mol
Exact Mass390.15
IUPAC Name3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one
SMILESCc1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCC3
InChIInChI=1S/C24H20F2N2O/c1-14-23(19-6-3-9-27-24(19)29)20-11-15-4-2-5-16(15)12-22(20)28(14)13-17-10-18(25)7-8-21(17)26/h3,6-12H,2,4-5,13H2,1H3,(H,27,29)
InChIKeyLNEAQGJUXCBFRY-UHFFFAOYSA-N
XLogP5.12
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one (CID 59622954) is 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is Cc1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCC3.
What is the InChIKey of 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
The InChIKey is LNEAQGJUXCBFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O/c1-14-23(19-6-3-9-27-24(19)29)20-11-15-4-2-5-16(15)12-22(20)28(14)13-17-10-18(25)7-8-21(17)26/h3,6-12H,2,4-5,13H2,1H3,(H,27,29).
What are the key properties of 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one?
3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one has a molecular weight of 390.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-difluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 59622954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).