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

C19H14F3N3O — CID 134810225

IUPAC3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(F)cc3F)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C19H14F3N3O/c20-12-5-6-13(16(22)7-12)19-14-8-18(26)25(10-17(14)23-24-19)9-11-3-1-2-4-15(11)21/h1-7H,8-10H2,(H,23,24)
InChIKeyCYPOCTSRARVYPJ-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.58
Rot. Bonds3

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

3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810225) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810225
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(F)cc3F)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C19H14F3N3O/c20-12-5-6-13(16(22)7-12)19-14-8-18(26)25(10-17(14)23-24-19)9-11-3-1-2-4-15(11)21/h1-7H,8-10H2,(H,23,24)
InChIKeyCYPOCTSRARVYPJ-UHFFFAOYSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810225) is 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccc(F)cc3F)n[nH]c2CN1Cc1ccccc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is CYPOCTSRARVYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-12-5-6-13(16(22)7-12)19-14-8-18(26)25(10-17(14)23-24-19)9-11-3-1-2-4-15(11)21/h1-7H,8-10H2,(H,23,24).
What are the key properties of 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 357.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).