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

C30H44F3N7O2 — CID 171752906

IUPAC2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC(=O)N1CC([C@@H](C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)C2)C2NNCN2C)C1
InChIInChI=1S/C30H44F3N7O2/c1-19-6-5-9-37(12-19)13-21-10-25(30(31,32)33)26-17-39(29(42)40(26)14-21)24-8-4-7-22(11-24)27(28-35-34-18-36(28)3)23-15-38(16-23)20(2)41/h10,14,17,19,22-24,27-28,34-35H,4-9,11-13,15-16,18H2,1-3H3/t19-,22?,24?,27+,28?/m0/s1
InChIKeyYYWNGIAVNFSEHN-QLHYTLCUSA-N
MW591.72 g/mol
LogP3.50
Rot. Bonds6

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

2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171752906) has the molecular formula C30H44F3N7O2 and a molecular weight of 591.72 g/mol. Its IUPAC name is 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171752906
Molecular FormulaC30H44F3N7O2
Molecular Weight591.72 g/mol
Exact Mass591.35
IUPAC Name2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC(=O)N1CC([C@@H](C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)C2)C2NNCN2C)C1
InChIInChI=1S/C30H44F3N7O2/c1-19-6-5-9-37(12-19)13-21-10-25(30(31,32)33)26-17-39(29(42)40(26)14-21)24-8-4-7-22(11-24)27(28-35-34-18-36(28)3)23-15-38(16-23)20(2)41/h10,14,17,19,22-24,27-28,34-35H,4-9,11-13,15-16,18H2,1-3H3/t19-,22?,24?,27+,28?/m0/s1
InChIKeyYYWNGIAVNFSEHN-QLHYTLCUSA-N
XLogP3.50
TPSA77.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.72
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3R)-3-methylazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753583
2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155934
2-[3-[(1S)-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)butyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753148
8-(1,1-difluoroethyl)-2-[3-[(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(3-methylpiperidin-1-yl)methyl]imidazo[1,5-a]pyridin-3-one
CID 178155807
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
3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile
CID 178155937
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753122
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3R)-3-methoxyazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753036
2-[3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753721
2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753672
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
2-[3-[(R)-cyclobutyl(1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753007

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171752906) is 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]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-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC(=O)N1CC([C@@H](C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)C2)C2NNCN2C)C1.
What is the InChIKey of 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is YYWNGIAVNFSEHN-QLHYTLCUSA-N. The full InChI is InChI=1S/C30H44F3N7O2/c1-19-6-5-9-37(12-19)13-21-10-25(30(31,32)33)26-17-39(29(42)40(26)14-21)24-8-4-7-22(11-24)27(28-35-34-18-36(28)3)23-15-38(16-23)20(2)41/h10,14,17,19,22-24,27-28,34-35H,4-9,11-13,15-16,18H2,1-3H3/t19-,22?,24?,27+,28?/m0/s1.
What are the key properties of 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 591.72 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-(1-acetylazetidin-3-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171752906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).