2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one

C25H26F6N2O2 — CID 170081460

IUPAC2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one
SMILESCOC(C)(C)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26F6N2O2/c1-23(2,35-3)15-19(34)6-4-5-7-20-22(16-8-10-17(11-9-16)24(26,27)28)21-14-18(25(29,30)31)12-13-33(21)32-20/h8-14H,4-7,15H2,1-3H3
InChIKeyGLNLEWSOYROXRU-UHFFFAOYSA-N
MW500.48 g/mol
LogP7.14
Rot. Bonds9

About 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one

2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one (PubChem CID 170081460) has the molecular formula C25H26F6N2O2 and a molecular weight of 500.48 g/mol. Its IUPAC name is 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one
PubChem CID170081460
Molecular FormulaC25H26F6N2O2
Molecular Weight500.48 g/mol
Exact Mass500.19
IUPAC Name2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one
SMILESCOC(C)(C)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H26F6N2O2/c1-23(2,35-3)15-19(34)6-4-5-7-20-22(16-8-10-17(11-9-16)24(26,27)28)21-14-18(25(29,30)31)12-13-33(21)32-20/h8-14H,4-7,15H2,1-3H3
InChIKeyGLNLEWSOYROXRU-UHFFFAOYSA-N
XLogP7.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(2-fluorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2-hydroxy-2-methyloctan-4-one
CID 170081458
1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one
CID 168979649
6-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
CID 71088785
3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
CID 137404635
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
ethyl 2-[[[3-ethylsulfonyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 162746212
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
2-[5-[3-[4-hexyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 67417787
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
2-methyl-3-(3-methyl-1,2-dihydrotriazol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 168979522

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one?
The IUPAC name of 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one (CID 170081460) is 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one.
What is the SMILES notation for 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one?
The canonical SMILES for 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one is COC(C)(C)CC(=O)CCCCc1nn2ccc(C(F)(F)F)cc2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one?
The InChIKey is GLNLEWSOYROXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N2O2/c1-23(2,35-3)15-19(34)6-4-5-7-20-22(16-8-10-17(11-9-16)24(26,27)28)21-14-18(25(29,30)31)12-13-33(21)32-20/h8-14H,4-7,15H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one?
2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one has a molecular weight of 500.48 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-8-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]octan-4-one is sourced from PubChem (CID 170081460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).