(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide

C16H14F3N3O2 — CID 135369373

IUPAC(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(N)=O)cnn21
InChIInChI=1S/C16H14F3N3O2/c1-8-6-11(9-2-4-10(5-3-9)16(17,18)19)14(23)13-12(15(20)24)7-21-22(8)13/h2-5,7-8,11H,6H2,1H3,(H2,20,24)/t8-,11?/m0/s1
InChIKeyMLLUJMBFXRZLMX-YMNIQAILSA-N
MW337.30 g/mol
LogP2.93
Rot. Bonds2

About (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide

(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 135369373) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID135369373
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(N)=O)cnn21
InChIInChI=1S/C16H14F3N3O2/c1-8-6-11(9-2-4-10(5-3-9)16(17,18)19)14(23)13-12(15(20)24)7-21-22(8)13/h2-5,7-8,11H,6H2,1H3,(H2,20,24)/t8-,11?/m0/s1
InChIKeyMLLUJMBFXRZLMX-YMNIQAILSA-N
XLogP2.93
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-2-carboxamide
CID 151400946
2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide
CID 150371350
(7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 151436546
6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 151812904
(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
(7S)-3-(aminomethyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118700910
6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
CID 118693839
N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 151300976
ethane;7-methyl-N-(oxetan-3-yl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 145008164
5-[4-(1,1-difluoropropyl)-3-fluorophenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 145008215
(5R,7S)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 744120
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 135369373) is (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(N)=O)cnn21.
What is the InChIKey of (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MLLUJMBFXRZLMX-YMNIQAILSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-8-6-11(9-2-4-10(5-3-9)16(17,18)19)14(23)13-12(15(20)24)7-21-22(8)13/h2-5,7-8,11H,6H2,1H3,(H2,20,24)/t8-,11?/m0/s1.
What are the key properties of (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide?
(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 135369373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).