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

C18H14FN3O — CID 4911636

IUPAC4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc(F)c2)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C18H14FN3O/c19-13-8-4-7-12(9-13)14-10-15(23)20-18-16(14)17(21-22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23)
InChIKeyZQRBESWKWMHVAH-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.69
Rot. Bonds2

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

4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 4911636) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID4911636
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc(F)c2)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C18H14FN3O/c19-13-8-4-7-12(9-13)14-10-15(23)20-18-16(14)17(21-22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23)
InChIKeyZQRBESWKWMHVAH-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 4911636) is 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(c2cccc(F)c2)c2c(n[nH]c2-c2ccccc2)N1.
What is the InChIKey of 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is ZQRBESWKWMHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-13-8-4-7-12(9-13)14-10-15(23)20-18-16(14)17(21-22-18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23).
What are the key properties of 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 307.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 4911636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).