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

C21H17FN6O3 — CID 171339549

IUPAC4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid
SMILESO=C1CC(c2cnn(-c3cccc(F)c3)c2)c2c(n[nH]c2-c2ccccn2)N1.O=CO
InChIInChI=1S/C20H15FN6O.CH2O2/c21-13-4-3-5-14(8-13)27-11-12(10-23-27)15-9-17(28)24-20-18(15)19(25-26-20)16-6-1-2-7-22-16;2-1-3/h1-8,10-11,15H,9H2,(H2,24,25,26,28);1H,(H,2,3)
InChIKeyAOOGWHONHMXTKK-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.97
Rot. Bonds3

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

4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid (PubChem CID 171339549) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid
PubChem CID171339549
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid
SMILESO=C1CC(c2cnn(-c3cccc(F)c3)c2)c2c(n[nH]c2-c2ccccn2)N1.O=CO
InChIInChI=1S/C20H15FN6O.CH2O2/c21-13-4-3-5-14(8-13)27-11-12(10-23-27)15-9-17(28)24-20-18(15)19(25-26-20)16-6-1-2-7-22-16;2-1-3/h1-8,10-11,15H,9H2,(H2,24,25,26,28);1H,(H,2,3)
InChIKeyAOOGWHONHMXTKK-UHFFFAOYSA-N
XLogP2.97
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169421680
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169419907
1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503423
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
(4S)-4-(2-morpholin-4-yl-3-pyridinyl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136697938
(4S)-4-(1-propan-2-ylbenzimidazol-2-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136713699
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
(4S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136718297
4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
CID 130448496
4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169414133
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 171906452
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid?
The IUPAC name of 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid (CID 171339549) is 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid.
What is the SMILES notation for 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid?
The canonical SMILES for 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid is O=C1CC(c2cnn(-c3cccc(F)c3)c2)c2c(n[nH]c2-c2ccccn2)N1.O=CO.
What is the InChIKey of 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid?
The InChIKey is AOOGWHONHMXTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O.CH2O2/c21-13-4-3-5-14(8-13)27-11-12(10-23-27)15-9-17(28)24-20-18(15)19(25-26-20)16-6-1-2-7-22-16;2-1-3/h1-8,10-11,15H,9H2,(H2,24,25,26,28);1H,(H,2,3).
What are the key properties of 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid?
4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid has a molecular weight of 420.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)pyrazol-4-yl]-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one;formic acid is sourced from PubChem (CID 171339549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).