3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid

C24H18F2N2O3 — CID 25173385

IUPAC3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCC3
InChIInChI=1S/C24H18F2N2O3/c25-15-7-8-18(26)14(11-15)12-28-19-9-6-13-3-1-4-16(13)20(19)21(22(28)24(30)31)17-5-2-10-27-23(17)29/h2,5-11H,1,3-4,12H2,(H,27,29)(H,30,31)
InChIKeyHVWUZFNJGPRSAK-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.51
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid

3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid (PubChem CID 25173385) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid
PubChem CID25173385
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCC3
InChIInChI=1S/C24H18F2N2O3/c25-15-7-8-18(26)14(11-15)12-28-19-9-6-13-3-1-4-16(13)20(19)21(22(28)24(30)31)17-5-2-10-27-23(17)29/h2,5-11H,1,3-4,12H2,(H,27,29)(H,30,31)
InChIKeyHVWUZFNJGPRSAK-UHFFFAOYSA-N
XLogP4.51
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid (CID 25173385) is 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCC3.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid?
The InChIKey is HVWUZFNJGPRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c25-15-7-8-18(26)14(11-15)12-28-19-9-6-13-3-1-4-16(13)20(19)21(22(28)24(30)31)17-5-2-10-27-23(17)29/h2,5-11H,1,3-4,12H2,(H,27,29)(H,30,31).
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid?
3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid has a molecular weight of 420.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-7,8-dihydro-6H-cyclopenta[e]indole-2-carboxylic acid is sourced from PubChem (CID 25173385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).