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

C21H16F4N4O2 — CID 151400946

IUPAC5-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
SMILESC[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(F)cn3)cnn21
InChIInChI=1S/C21H16F4N4O2/c1-11-8-15(12-2-4-13(5-3-12)21(23,24)25)19(30)18-17(10-27-29(11)18)28-20(31)16-7-6-14(22)9-26-16/h2-7,9-11,15H,8H2,1H3,(H,28,31)/t11-,15?/m0/s1
InChIKeyOWLWUBJLLASHNJ-VPHXOMNUSA-N
MW432.38 g/mol
LogP4.62
Rot. Bonds3

About 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

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 (PubChem CID 151400946) has the molecular formula C21H16F4N4O2 and a molecular weight of 432.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID151400946
Molecular FormulaC21H16F4N4O2
Molecular Weight432.38 g/mol
Exact Mass432.12
IUPAC Name5-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
SMILESC[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(F)cn3)cnn21
InChIInChI=1S/C21H16F4N4O2/c1-11-8-15(12-2-4-13(5-3-12)21(23,24)25)19(30)18-17(10-27-29(11)18)28-20(31)16-7-6-14(22)9-26-16/h2-7,9-11,15H,8H2,1H3,(H,28,31)/t11-,15?/m0/s1
InChIKeyOWLWUBJLLASHNJ-VPHXOMNUSA-N
XLogP4.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 135369373
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
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
(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
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
CID 118693869
2-(methylamino)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693774
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
2-fluoro-3-methoxy-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693712

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(F)cn3)cnn21.
What is the InChIKey of 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?
The InChIKey is OWLWUBJLLASHNJ-VPHXOMNUSA-N. The full InChI is InChI=1S/C21H16F4N4O2/c1-11-8-15(12-2-4-13(5-3-12)21(23,24)25)19(30)18-17(10-27-29(11)18)28-20(31)16-7-6-14(22)9-26-16/h2-7,9-11,15H,8H2,1H3,(H,28,31)/t11-,15?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 432.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 151400946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).