(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C21H22F3N7O2 — CID 118555686

IUPAC(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(Cc2nnc4n2CC(C(F)(F)F)CC4)C3=O)cn1
InChIInChI=1S/C21H22F3N7O2/c1-12-7-28(11-25-12)15-4-5-16-20(33)29(13(2)8-30(16)19(15)32)10-18-27-26-17-6-3-14(9-31(17)18)21(22,23)24/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3/t13-,14?/m1/s1
InChIKeyPRCZSHKBXOREQN-KWCCSABGSA-N
MW461.45 g/mol
LogP2.10
Rot. Bonds3

About (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118555686) has the molecular formula C21H22F3N7O2 and a molecular weight of 461.45 g/mol. Its IUPAC name is (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118555686
Molecular FormulaC21H22F3N7O2
Molecular Weight461.45 g/mol
Exact Mass461.18
IUPAC Name(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(Cc2nnc4n2CC(C(F)(F)F)CC4)C3=O)cn1
InChIInChI=1S/C21H22F3N7O2/c1-12-7-28(11-25-12)15-4-5-16-20(33)29(13(2)8-30(16)19(15)32)10-18-27-26-17-6-3-14(9-31(17)18)21(22,23)24/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3/t13-,14?/m1/s1
InChIKeyPRCZSHKBXOREQN-KWCCSABGSA-N
XLogP2.10
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Related Compounds

(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90286672
3-Methyl-7-(4-methylimidazol-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90300240
3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one
CID 90961355
(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118555666
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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118555683
1-[(Z)-2-methylbut-2-enyl]-5-(4-methylimidazol-1-yl)-6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-2-carboxamide
CID 138507672
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
3-methyl-7-(4-methylimidazol-1-yl)-2-[[(6R)-6-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 144669734
3-methyl-8-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5H-pyrido[1,2-a][1,4]diazepine-1,7-dione
CID 146383833
N-methyl-2-(2-oxo-1-pyridinyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129006722
N-methyl-2-(2-oxo-1-pyridinyl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129339140
N-methyl-2-(2-oxo-1-pyridinyl)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129339141

Frequently Asked Questions

What is the IUPAC name of (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118555686) is (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(Cc2nnc4n2CC(C(F)(F)F)CC4)C3=O)cn1.
What is the InChIKey of (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is PRCZSHKBXOREQN-KWCCSABGSA-N. The full InChI is InChI=1S/C21H22F3N7O2/c1-12-7-28(11-25-12)15-4-5-16-20(33)29(13(2)8-30(16)19(15)32)10-18-27-26-17-6-3-14(9-31(17)18)21(22,23)24/h4-5,7,11,13-14H,3,6,8-10H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
(3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 461.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-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]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118555686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).