4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one

C24H24FN3O2 — CID 118468139

IUPAC4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1CCC[C@@H]1O)C2=O
InChIInChI=1S/C24H24FN3O2/c1-15-17(12-16-6-8-18(9-7-16)28-11-3-10-26-28)13-19-20(23(15)25)14-27(24(19)30)21-4-2-5-22(21)29/h3,6-11,13,21-22,29H,2,4-5,12,14H2,1H3/t21-,22-/m0/s1
InChIKeyBLSJNMLJNJFNLA-VXKWHMMOSA-N
MW405.47 g/mol
LogP3.78
Rot. Bonds4

About 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one

4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one (PubChem CID 118468139) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
PubChem CID118468139
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1CCC[C@@H]1O)C2=O
InChIInChI=1S/C24H24FN3O2/c1-15-17(12-16-6-8-18(9-7-16)28-11-3-10-26-28)13-19-20(23(15)25)14-27(24(19)30)21-4-2-5-22(21)29/h3,6-11,13,21-22,29H,2,4-5,12,14H2,1H3/t21-,22-/m0/s1
InChIKeyBLSJNMLJNJFNLA-VXKWHMMOSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one (CID 118468139) is 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one is Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1CCC[C@@H]1O)C2=O.
What is the InChIKey of 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one?
The InChIKey is BLSJNMLJNJFNLA-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-17(12-16-6-8-18(9-7-16)28-11-3-10-26-28)13-19-20(23(15)25)14-27(24(19)30)21-4-2-5-22(21)29/h3,6-11,13,21-22,29H,2,4-5,12,14H2,1H3/t21-,22-/m0/s1.
What are the key properties of 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one?
4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one has a molecular weight of 405.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 118468139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).