1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one

C17H12FN3O2 — CID 135816426

IUPAC1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3ccco3)nn(Cc3ccccc3F)c2[nH]1
InChIInChI=1S/C17H12FN3O2/c18-13-5-2-1-4-11(13)10-21-17-12(7-8-15(22)19-17)16(20-21)14-6-3-9-23-14/h1-9H,10H2,(H,19,22)
InChIKeyNEVFXACCFBNHFG-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.17
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one

1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135816426) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135816426
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3ccco3)nn(Cc3ccccc3F)c2[nH]1
InChIInChI=1S/C17H12FN3O2/c18-13-5-2-1-4-11(13)10-21-17-12(7-8-15(22)19-17)16(20-21)14-6-3-9-23-14/h1-9H,10H2,(H,19,22)
InChIKeyNEVFXACCFBNHFG-UHFFFAOYSA-N
XLogP3.17
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135816426) is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one is O=c1ccc2c(-c3ccco3)nn(Cc3ccccc3F)c2[nH]1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NEVFXACCFBNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-5-2-1-4-11(13)10-21-17-12(7-8-15(22)19-17)16(20-21)14-6-3-9-23-14/h1-9H,10H2,(H,19,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 309.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135816426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).