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

C28H40F4N6O2 — CID 171752773

IUPAC6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC(C)(F)CC5)cn4c3=O)C2)COC1
InChIInChI=1S/C28H40F4N6O2/c1-26(29)6-8-36(9-7-26)13-19-10-22(28(30,31)32)23-15-37(25(39)38(23)14-19)21-5-3-4-20(11-21)27(16-40-17-27)12-24-34-33-18-35(24)2/h10,14-15,20-21,24,33-34H,3-9,11-13,16-18H2,1-2H3
InChIKeyJPOWKBAQGAUQDD-UHFFFAOYSA-N
MW568.66 g/mol
LogP3.90
Rot. Bonds6

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

6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171752773) has the molecular formula C28H40F4N6O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171752773
Molecular FormulaC28H40F4N6O2
Molecular Weight568.66 g/mol
Exact Mass568.31
IUPAC Name6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC(C)(F)CC5)cn4c3=O)C2)COC1
InChIInChI=1S/C28H40F4N6O2/c1-26(29)6-8-36(9-7-26)13-19-10-22(28(30,31)32)23-15-37(25(39)38(23)14-19)21-5-3-4-20(11-21)27(16-40-17-27)12-24-34-33-18-35(24)2/h10,14-15,20-21,24,33-34H,3-9,11-13,16-18H2,1-2H3
InChIKeyJPOWKBAQGAUQDD-UHFFFAOYSA-N
XLogP3.90
TPSA66.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.66
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171752773) is 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC(C)(F)CC5)cn4c3=O)C2)COC1.
What is the InChIKey of 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is JPOWKBAQGAUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F4N6O2/c1-26(29)6-8-36(9-7-26)13-19-10-22(28(30,31)32)23-15-37(25(39)38(23)14-19)21-5-3-4-20(11-21)27(16-40-17-27)12-24-34-33-18-35(24)2/h10,14-15,20-21,24,33-34H,3-9,11-13,16-18H2,1-2H3.
What are the key properties of 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 568.66 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171752773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).