2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C29H43F3N6O — CID 171752609

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171752609) has the molecular formula C29H43F3N6O and a molecular weight of 548.70 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 171752609
• Molecular Formula: C29H43F3N6O
• Molecular Weight: 548.70 g/mol
• Exact Mass: 548.35
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CN1CNNC1[C@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC(C)(C)C4)cn3c2=O)C1
• InChI: InChI=1S/C29H43F3N6O/c1-28(2)10-11-36(17-28)14-19-12-23(29(30,31)32)24-16-37(27(39)38(24)15-19)22-9-5-8-21(13-22)25(20-6-4-7-20)26-34-33-18-35(26)3/h12,15-16,20-22,25-26,33-34H,4-11,13-14,17-18H2,1-3H3/t21?,22?,25-,26?/m1/s1
• InChIKey: SGEWOZHZKDQQQG-ZOUZSZCJSA-N
• XLogP: 4.82
• TPSA: 56.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.70
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171752609) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CNNC1[C@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC(C)(C)C4)cn3c2=O)C1.

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

The InChIKey is SGEWOZHZKDQQQG-ZOUZSZCJSA-N. The full InChI is InChI=1S/C29H43F3N6O/c1-28(2)10-11-36(17-28)14-19-12-23(29(30,31)32)24-16-37(27(39)38(24)15-19)22-9-5-8-21(13-22)25(20-6-4-7-20)26-34-33-18-35(26)3/h12,15-16,20-22,25-26,33-34H,4-11,13-14,17-18H2,1-3H3/t21?,22?,25-,26?/m1/s1.

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 548.70 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171752609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).