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

C22H24F3N7O2 — CID 144669734

IUPAC3-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
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2nnc4n2C[C@](C)(C(F)(F)F)CC4)C3=O)cn1
InChIInChI=1S/C22H24F3N7O2/c1-13-8-29(12-26-13)15-4-5-16-20(34)30(14(2)9-31(16)19(15)33)10-18-28-27-17-6-7-21(3,11-32(17)18)22(23,24)25/h4-5,8,12,14H,6-7,9-11H2,1-3H3/t14?,21-/m1/s1
InChIKeyTXSLZRCRMHTKGT-OKKPIIHCSA-N
MW475.48 g/mol
LogP2.49
Rot. Bonds3

About 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

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 (PubChem CID 144669734) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID144669734
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Name3-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
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2nnc4n2C[C@](C)(C(F)(F)F)CC4)C3=O)cn1
InChIInChI=1S/C22H24F3N7O2/c1-13-8-29(12-26-13)15-4-5-16-20(34)30(14(2)9-31(16)19(15)33)10-18-28-27-17-6-7-21(3,11-32(17)18)22(23,24)25/h4-5,8,12,14H,6-7,9-11H2,1-3H3/t14?,21-/m1/s1
InChIKeyTXSLZRCRMHTKGT-OKKPIIHCSA-N
XLogP2.49
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2nnc4n2C[C@](C)(C(F)(F)F)CC4)C3=O)cn1.
What is the InChIKey of 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?
The InChIKey is TXSLZRCRMHTKGT-OKKPIIHCSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-13-8-29(12-26-13)15-4-5-16-20(34)30(14(2)9-31(16)19(15)33)10-18-28-27-17-6-7-21(3,11-32(17)18)22(23,24)25/h4-5,8,12,14H,6-7,9-11H2,1-3H3/t14?,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 475.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144669734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).