6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C20H18FN3O2 — CID 134806495

IUPAC6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C20H18FN3O2/c21-17-7-2-1-5-15(17)10-24-11-18-16(9-19(24)26)20(23-22-18)14-6-3-4-13(8-14)12-25/h1-8,25H,9-12H2,(H,22,23)
InChIKeyVFFODNLYDNQTJA-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.79
Rot. Bonds4

About 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134806495) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134806495
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C20H18FN3O2/c21-17-7-2-1-5-15(17)10-24-11-18-16(9-19(24)26)20(23-22-18)14-6-3-4-13(8-14)12-25/h1-8,25H,9-12H2,(H,22,23)
InChIKeyVFFODNLYDNQTJA-UHFFFAOYSA-N
XLogP2.79
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134806495) is 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is VFFODNLYDNQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-7-2-1-5-15(17)10-24-11-18-16(9-19(24)26)20(23-22-18)14-6-3-4-13(8-14)12-25/h1-8,25H,9-12H2,(H,22,23).
What are the key properties of 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 351.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134806495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).