3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C16H14FN5O — CID 169412310

IUPAC3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCn1nccc1C1CC(=O)Nc2n[nH]c(-c3cccc(F)c3)c21
InChIInChI=1S/C16H14FN5O/c1-22-12(5-6-18-22)11-8-13(23)19-16-14(11)15(20-21-16)9-3-2-4-10(17)7-9/h2-7,11H,8H2,1H3,(H2,19,20,21,23)
InChIKeyLNPDBDQYNIRQCH-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.42
Rot. Bonds2

About 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 169412310) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID169412310
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCn1nccc1C1CC(=O)Nc2n[nH]c(-c3cccc(F)c3)c21
InChIInChI=1S/C16H14FN5O/c1-22-12(5-6-18-22)11-8-13(23)19-16-14(11)15(20-21-16)9-3-2-4-10(17)7-9/h2-7,11H,8H2,1H3,(H2,19,20,21,23)
InChIKeyLNPDBDQYNIRQCH-UHFFFAOYSA-N
XLogP2.42
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 169412310) is 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cn1nccc1C1CC(=O)Nc2n[nH]c(-c3cccc(F)c3)c21.
What is the InChIKey of 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is LNPDBDQYNIRQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-22-12(5-6-18-22)11-8-13(23)19-16-14(11)15(20-21-16)9-3-2-4-10(17)7-9/h2-7,11H,8H2,1H3,(H2,19,20,21,23).
What are the key properties of 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 311.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).