ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H29F3N6O2 — CID 144669726

About ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 144669726) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 144669726
• Molecular Formula: C24H29F3N6O2
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.23
• IUPAC Name: ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: CC.Cc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2cnn4c2CC(C(F)(F)F)CC4)C3=O)cn1
• InChI: InChI=1S/C22H23F3N6O2.C2H6/c1-13-9-28(12-26-13)17-3-4-18-21(33)29(14(2)10-30(18)20(17)32)11-15-8-27-31-6-5-16(7-19(15)31)22(23,24)25;1-2/h3-4,8-9,12,14,16H,5-7,10-11H2,1-2H3;1-2H3
• InChIKey: SKLIIKPPDVXBOS-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 77.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The IUPAC name of ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 144669726) is ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

What is the SMILES notation for ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The canonical SMILES for ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is CC.Cc1cn(-c2ccc3n(c2=O)CC(C)N(Cc2cnn4c2CC(C(F)(F)F)CC4)C3=O)cn1.

What is the InChIKey of ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is SKLIIKPPDVXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2.C2H6/c1-13-9-28(12-26-13)17-3-4-18-21(33)29(14(2)10-30(18)20(17)32)11-15-8-27-31-6-5-16(7-19(15)31)22(23,24)25;1-2/h3-4,8-9,12,14,16H,5-7,10-11H2,1-2H3;1-2H3.

What are the key properties of ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 490.53 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 144669726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).