4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

C16H13FN6O2 — CID 171906452

IUPAC4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1C(c1cn[nH]c1-c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C16H13FN6O2/c17-8-3-1-2-7(4-8)13-10(6-19-21-13)9-5-11(24)20-16-12(9)14(15(18)25)22-23-16/h1-4,6,9H,5H2,(H2,18,25)(H,19,21)(H2,20,22,23,24)
InChIKeySNRWZNOJYSBPSI-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.51
Rot. Bonds3

About 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 171906452) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID171906452
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1C(c1cn[nH]c1-c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C16H13FN6O2/c17-8-3-1-2-7(4-8)13-10(6-19-21-13)9-5-11(24)20-16-12(9)14(15(18)25)22-23-16/h1-4,6,9H,5H2,(H2,18,25)(H,19,21)(H2,20,22,23,24)
InChIKeySNRWZNOJYSBPSI-UHFFFAOYSA-N
XLogP1.51
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135990253
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 169416286
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
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
N-methyl-6-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421888

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (CID 171906452) is 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is NC(=O)c1[nH]nc2c1C(c1cn[nH]c1-c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is SNRWZNOJYSBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c17-8-3-1-2-7(4-8)13-10(6-19-21-13)9-5-11(24)20-16-12(9)14(15(18)25)22-23-16/h1-4,6,9H,5H2,(H2,18,25)(H,19,21)(H2,20,22,23,24).
What are the key properties of 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 171906452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).