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

C19H14F4N4O — CID 156735500

IUPAC1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F4N4O/c20-13-6-11(5-12(8-13)19(21,22)23)7-14-9-15(1-3-24-14)27-17-2-4-25-18(28)16(17)10-26-27/h1,3,5-6,8-10H,2,4,7H2,(H,25,28)
InChIKeyVASPFLVEEOBQOS-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.30
Rot. Bonds3

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

1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735500) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735500
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H14F4N4O/c20-13-6-11(5-12(8-13)19(21,22)23)7-14-9-15(1-3-24-14)27-17-2-4-25-18(28)16(17)10-26-27/h1,3,5-6,8-10H,2,4,7H2,(H,25,28)
InChIKeyVASPFLVEEOBQOS-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735500) is 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is VASPFLVEEOBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-13-6-11(5-12(8-13)19(21,22)23)7-14-9-15(1-3-24-14)27-17-2-4-25-18(28)16(17)10-26-27/h1,3,5-6,8-10H,2,4,7H2,(H,25,28).
What are the key properties of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 390.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).