2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H47F3N6O3 — CID 171753705

About 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171753705) has the molecular formula C30H47F3N6O3 and a molecular weight of 596.74 g/mol. Its IUPAC name is 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 171753705
• Molecular Formula: C30H47F3N6O3
• Molecular Weight: 596.74 g/mol
• Exact Mass: 596.37
• IUPAC Name: 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: COCC(COC)[C@@H](C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1)C1NNCN1C
• InChI: InChI=1S/C30H47F3N6O3/c1-20-7-6-10-37(13-20)14-21-11-25(30(31,32)33)26-16-38(29(40)39(26)15-21)24-9-5-8-22(12-24)27(23(17-41-3)18-42-4)28-35-34-19-36(28)2/h11,15-16,20,22-24,27-28,34-35H,5-10,12-14,17-19H2,1-4H3/t20-,22?,24?,27+,28?/m0/s1
• InChIKey: UETLIMBSXITZOT-IBUJXLENSA-N
• XLogP: 3.93
• TPSA: 75.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.74
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753705) is 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is COCC(COC)[C@@H](C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1)C1NNCN1C.

What is the InChIKey of 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is UETLIMBSXITZOT-IBUJXLENSA-N. The full InChI is InChI=1S/C30H47F3N6O3/c1-20-7-6-10-37(13-20)14-21-11-25(30(31,32)33)26-16-38(29(40)39(26)15-21)24-9-5-8-22(12-24)27(23(17-41-3)18-42-4)28-35-34-19-36(28)2/h11,15-16,20,22-24,27-28,34-35H,5-10,12-14,17-19H2,1-4H3/t20-,22?,24?,27+,28?/m0/s1.

What are the key properties of 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 596.74 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1R)-3-methoxy-2-(methoxymethyl)-1-(4-methyl-1,2,4-triazolidin-3-yl)propyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).