8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one

C23H24F4N2O2 — CID 170081458

IUPAC8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one
SMILESCC(C)(O)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccccc1F
InChIInChI=1S/C23H24F4N2O2/c1-22(2,31)14-16(30)7-3-6-10-19-21(17-8-4-5-9-18(17)24)20-13-15(23(25,26)27)11-12-29(20)28-19/h4-5,8-9,11-13,31H,3,6-7,10,14H2,1-2H3
InChIKeyRQFLYNQYEGAYFA-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.60
Rot. Bonds8

About 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one

8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one (PubChem CID 170081458) has the molecular formula C23H24F4N2O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one.

Molecular Properties

Compound Name8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one
PubChem CID170081458
Molecular FormulaC23H24F4N2O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Name8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one
SMILESCC(C)(O)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccccc1F
InChIInChI=1S/C23H24F4N2O2/c1-22(2,31)14-16(30)7-3-6-10-19-21(17-8-4-5-9-18(17)24)20-13-15(23(25,26)27)11-12-29(20)28-19/h4-5,8-9,11-13,31H,3,6-7,10,14H2,1-2H3
InChIKeyRQFLYNQYEGAYFA-UHFFFAOYSA-N
XLogP5.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one
CID 170081460
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
CID 137404635
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
(2S)-8-(1-cyclobutyl-6-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-hydroxy-2-phenyloctan-4-one
CID 153346064
1-(2,2-difluoroethylamino)-4-(2-methylphenyl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
CID 166065177
5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238312
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
2-methyl-3-(3-methyl-1,2-dihydrotriazol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 168979522
ethyl 2-[[[3-ethylsulfonyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 162746212
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20965885
2-cyclopropyl-8-[6-(2-hydroxypropan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-2-methyloctan-4-one
CID 139518442

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one?
The IUPAC name of 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one (CID 170081458) is 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one.
What is the SMILES notation for 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one?
The canonical SMILES for 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one is CC(C)(O)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccccc1F.
What is the InChIKey of 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one?
The InChIKey is RQFLYNQYEGAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O2/c1-22(2,31)14-16(30)7-3-6-10-19-21(17-8-4-5-9-18(17)24)20-13-15(23(25,26)27)11-12-29(20)28-19/h4-5,8-9,11-13,31H,3,6-7,10,14H2,1-2H3.
What are the key properties of 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one?
8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one has a molecular weight of 436.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one is sourced from PubChem (CID 170081458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).