2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H14F3N5O2 — CID 58044330

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)cn1
InChIInChI=1S/C18H14F3N5O2/c1-24-9-12(8-22-24)10-26-17(27)25-11-14(4-7-16(25)23-26)13-2-5-15(6-3-13)28-18(19,20)21/h2-9,11H,10H2,1H3
InChIKeyAVSQLPAJCOPVGM-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.84
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 58044330) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID58044330
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)cn1
InChIInChI=1S/C18H14F3N5O2/c1-24-9-12(8-22-24)10-26-17(27)25-11-14(4-7-16(25)23-26)13-2-5-15(6-3-13)28-18(19,20)21/h2-9,11H,10H2,1H3
InChIKeyAVSQLPAJCOPVGM-UHFFFAOYSA-N
XLogP2.84
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 58044330) is 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1cc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AVSQLPAJCOPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c1-24-9-12(8-22-24)10-26-17(27)25-11-14(4-7-16(25)23-26)13-2-5-15(6-3-13)28-18(19,20)21/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 389.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 58044330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).