3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C19H18FN5O — CID 135990253

IUPAC3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2cn[nH]c2-c2ccc(F)cc2)c2c(n[nH]c2C2CCC2)N1
InChIInChI=1S/C19H18FN5O/c20-12-6-4-11(5-7-12)17-14(9-21-23-17)13-8-15(26)22-19-16(13)18(24-25-19)10-2-1-3-10/h4-7,9-10,13H,1-3,8H2,(H,21,23)(H2,22,24,25,26)
InChIKeyPMOGQEDNEHEXGM-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.68
Rot. Bonds3

About 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135990253) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135990253
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2cn[nH]c2-c2ccc(F)cc2)c2c(n[nH]c2C2CCC2)N1
InChIInChI=1S/C19H18FN5O/c20-12-6-4-11(5-7-12)17-14(9-21-23-17)13-8-15(26)22-19-16(13)18(24-25-19)10-2-1-3-10/h4-7,9-10,13H,1-3,8H2,(H,21,23)(H2,22,24,25,26)
InChIKeyPMOGQEDNEHEXGM-UHFFFAOYSA-N
XLogP3.68
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135461961
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 171906452
(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698066
4-(3-chloro-4-hydroxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412534
(4S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136718297
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381
4-(4-aminocyclohexyl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;hydrochloride
CID 154888893
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one;formic acid
CID 171339292
3,4-bis(4-chlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621383
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
4-(2-chloro-4-ethoxy-5-methoxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913579
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219861

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135990253) is 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(c2cn[nH]c2-c2ccc(F)cc2)c2c(n[nH]c2C2CCC2)N1.
What is the InChIKey of 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is PMOGQEDNEHEXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-12-6-4-11(5-7-12)17-14(9-21-23-17)13-8-15(26)22-19-16(13)18(24-25-19)10-2-1-3-10/h4-7,9-10,13H,1-3,8H2,(H,21,23)(H2,22,24,25,26).
What are the key properties of 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 351.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135990253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).