3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one

C21H24F3N7O — CID 140941285

IUPAC3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one
SMILESCc1cn(C2=CC=C3C(=O)N(Cc4nnc5n4CC(C(F)(F)F)CC5)C(C)CN3C2)cn1
InChIInChI=1S/C21H24F3N7O/c1-13-7-29(12-25-13)16-4-5-17-20(32)30(14(2)8-28(17)10-16)11-19-27-26-18-6-3-15(9-31(18)19)21(22,23)24/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3
InChIKeyYADVDENIBKZABB-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one

3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one (PubChem CID 140941285) has the molecular formula C21H24F3N7O and a molecular weight of 447.47 g/mol. Its IUPAC name is 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one
PubChem CID140941285
Molecular FormulaC21H24F3N7O
Molecular Weight447.47 g/mol
Exact Mass447.20
IUPAC Name3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one
SMILESCc1cn(C2=CC=C3C(=O)N(Cc4nnc5n4CC(C(F)(F)F)CC5)C(C)CN3C2)cn1
InChIInChI=1S/C21H24F3N7O/c1-13-7-29(12-25-13)16-4-5-17-20(32)30(14(2)8-28(17)10-16)11-19-27-26-18-6-3-15(9-31(18)19)21(22,23)24/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3
InChIKeyYADVDENIBKZABB-UHFFFAOYSA-N
XLogP2.38
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one?
The IUPAC name of 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one (CID 140941285) is 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one is Cc1cn(C2=CC=C3C(=O)N(Cc4nnc5n4CC(C(F)(F)F)CC5)C(C)CN3C2)cn1.
What is the InChIKey of 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one?
The InChIKey is YADVDENIBKZABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O/c1-13-7-29(12-25-13)16-4-5-17-20(32)30(14(2)8-28(17)10-16)11-19-27-26-18-6-3-15(9-31(18)19)21(22,23)24/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one?
3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one has a molecular weight of 447.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,6-dihydro-3H-pyrido[1,2-a]pyrazin-1-one is sourced from PubChem (CID 140941285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).