6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H19F3N6O2 — CID 155884064

IUPAC6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccn2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12
InChIInChI=1S/C21H19F3N6O2/c1-11-14(17-26-18-13(32-2)9-6-10-29(18)28-17)20(31)30-19(25-11)15(12-7-4-3-5-8-12)16(27-30)21(22,23)24/h3-10,15-16,19,25,27H,1-2H3
InChIKeyRRAYJYKGDXONFY-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.46
Rot. Bonds3

About 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884064) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884064
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC Name6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccn2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12
InChIInChI=1S/C21H19F3N6O2/c1-11-14(17-26-18-13(32-2)9-6-10-29(18)28-17)20(31)30-19(25-11)15(12-7-4-3-5-8-12)16(27-30)21(22,23)24/h3-10,15-16,19,25,27H,1-2H3
InChIKeyRRAYJYKGDXONFY-UHFFFAOYSA-N
XLogP2.46
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884064) is 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccn2nc(C3=C(C)NC4C(c5ccccc5)C(C(F)(F)F)NN4C3=O)nc12.
What is the InChIKey of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RRAYJYKGDXONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-11-14(17-26-18-13(32-2)9-6-10-29(18)28-17)20(31)30-19(25-11)15(12-7-4-3-5-8-12)16(27-30)21(22,23)24/h3-10,15-16,19,25,27H,1-2H3.
What are the key properties of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 444.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).