2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C27H37F5N6O2 — CID 171753443

About 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171753443) has the molecular formula C27H37F5N6O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 171753443
• Molecular Formula: C27H37F5N6O2
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.29
• IUPAC Name: 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CN1CNNC1[C@@H](F)C1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC(F)CC5)cn4c3=O)C2)COC1
• InChI: InChI=1S/C27H37F5N6O2/c1-35-16-33-34-24(35)23(29)26(14-40-15-26)18-3-2-4-20(10-18)37-13-22-21(27(30,31)32)9-17(12-38(22)25(37)39)11-36-7-5-19(28)6-8-36/h9,12-13,18-20,23-24,33-34H,2-8,10-11,14-16H2,1H3/t18?,20?,23-,24?/m1/s1
• InChIKey: BPWFUGFKADRYBW-WCSMRXFTSA-N
• XLogP: 3.46
• TPSA: 66.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753443) is 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CNNC1[C@@H](F)C1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC(F)CC5)cn4c3=O)C2)COC1.

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

The InChIKey is BPWFUGFKADRYBW-WCSMRXFTSA-N. The full InChI is InChI=1S/C27H37F5N6O2/c1-35-16-33-34-24(35)23(29)26(14-40-15-26)18-3-2-4-20(10-18)37-13-22-21(27(30,31)32)9-17(12-38(22)25(37)39)11-36-7-5-19(28)6-8-36/h9,12-13,18-20,23-24,33-34H,2-8,10-11,14-16H2,1H3/t18?,20?,23-,24?/m1/s1.

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

2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 572.62 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-6-[(4-fluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).