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

C20H18FN3O2 — CID 134806495

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 Name: 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
• PubChem CID: 134806495
• Molecular Formula: C20H18FN3O2
• Molecular Weight: 351.38 g/mol
• Exact Mass: 351.14
• IUPAC Name: 6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
• SMILES: O=C1Cc2c(-c3cccc(CO)c3)n[nH]c2CN1Cc1ccccc1F
• InChI: 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)
• InChIKey: VFFODNLYDNQTJA-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).