(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H17FN4O — CID 121293353

IUPAC(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(-c2cnn3c2C(=O)N(c2ccc(F)cc2)C[C@@H]3C)ccn1
InChIInChI=1S/C19H17FN4O/c1-12-9-14(7-8-21-12)17-10-22-24-13(2)11-23(19(25)18(17)24)16-5-3-15(20)4-6-16/h3-10,13H,11H2,1-2H3/t13-/m0/s1
InChIKeyAJQFEXBVXVIMTE-ZDUSSCGKSA-N
MW336.37 g/mol
LogP3.61
Rot. Bonds2

About (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 121293353) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID121293353
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(-c2cnn3c2C(=O)N(c2ccc(F)cc2)C[C@@H]3C)ccn1
InChIInChI=1S/C19H17FN4O/c1-12-9-14(7-8-21-12)17-10-22-24-13(2)11-23(19(25)18(17)24)16-5-3-15(20)4-6-16/h3-10,13H,11H2,1-2H3/t13-/m0/s1
InChIKeyAJQFEXBVXVIMTE-ZDUSSCGKSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
(3-Bromopyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57391358
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 121293353) is (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(-c2cnn3c2C(=O)N(c2ccc(F)cc2)C[C@@H]3C)ccn1.
What is the InChIKey of (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is AJQFEXBVXVIMTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-9-14(7-8-21-12)17-10-22-24-13(2)11-23(19(25)18(17)24)16-5-3-15(20)4-6-16/h3-10,13H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 336.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 121293353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).