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

C20H15F4N3O — CID 156735648

IUPAC1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1cccc(Cc2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F4N3O/c21-15-8-13(7-14(10-15)20(22,23)24)6-12-2-1-3-16(9-12)27-18-4-5-25-19(28)17(18)11-26-27/h1-3,7-11H,4-6H2,(H,25,28)
InChIKeyVUJUPWNIIADCOZ-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.91
Rot. Bonds3

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

1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735648) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735648
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC Name1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1cccc(Cc2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F4N3O/c21-15-8-13(7-14(10-15)20(22,23)24)6-12-2-1-3-16(9-12)27-18-4-5-25-19(28)17(18)11-26-27/h1-3,7-11H,4-6H2,(H,25,28)
InChIKeyVUJUPWNIIADCOZ-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735648) is 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is O=C1NCCc2c1cnn2-c1cccc(Cc2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is VUJUPWNIIADCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-15-8-13(7-14(10-15)20(22,23)24)6-12-2-1-3-16(9-12)27-18-4-5-25-19(28)17(18)11-26-27/h1-3,7-11H,4-6H2,(H,25,28).
What are the key properties of 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 389.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]phenyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).