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

C29H43F3N6O2 — CID 170543975

IUPAC2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC(C5(C6NNCN6C)CC(C)(O)C5)C4)c(=O)n3c2)C1
InChIInChI=1S/C29H43F3N6O2/c1-19-6-5-9-36(12-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-8-4-7-21(11-22)28(16-27(2,40)17-28)25-34-33-18-35(25)3/h10,14-15,19,21-22,25,33-34,40H,4-9,11-13,16-18H2,1-3H3/t19-,21?,22?,25?,27?,28?/m1/s1
InChIKeyVZJZBIYCZYGJQK-FRQOYEKBSA-N
MW564.70 g/mol
LogP3.94
Rot. Bonds5

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

2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 170543975) has the molecular formula C29H43F3N6O2 and a molecular weight of 564.70 g/mol. Its IUPAC name is 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID170543975
Molecular FormulaC29H43F3N6O2
Molecular Weight564.70 g/mol
Exact Mass564.34
IUPAC Name2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC(C5(C6NNCN6C)CC(C)(O)C5)C4)c(=O)n3c2)C1
InChIInChI=1S/C29H43F3N6O2/c1-19-6-5-9-36(12-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-8-4-7-21(11-22)28(16-27(2,40)17-28)25-34-33-18-35(25)3/h10,14-15,19,21-22,25,33-34,40H,4-9,11-13,16-18H2,1-3H3/t19-,21?,22?,25?,27?,28?/m1/s1
InChIKeyVZJZBIYCZYGJQK-FRQOYEKBSA-N
XLogP3.94
TPSA77.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.70
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[1-(1,3,4-thiadiazolidin-2-yl)cyclobutyl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752928
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-[(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-[(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
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
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
6-[[(3S)-3-hydroxypiperidin-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 171753397
6-bromo-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752811
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-[(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
2-[3-[(S)-cyclobutyl-(4-methylpyrazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753116

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 170543975) is 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC(C5(C6NNCN6C)CC(C)(O)C5)C4)c(=O)n3c2)C1.
What is the InChIKey of 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is VZJZBIYCZYGJQK-FRQOYEKBSA-N. The full InChI is InChI=1S/C29H43F3N6O2/c1-19-6-5-9-36(12-19)13-20-10-23(29(30,31)32)24-15-37(26(39)38(24)14-20)22-8-4-7-21(11-22)28(16-27(2,40)17-28)25-34-33-18-35(25)3/h10,14-15,19,21-22,25,33-34,40H,4-9,11-13,16-18H2,1-3H3/t19-,21?,22?,25?,27?,28?/m1/s1.
What are the key properties of 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 564.70 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-hydroxy-3-methyl-1-(4-methyl-1,2,4-triazolidin-3-yl)cyclobutyl]cyclohexyl]-6-[[(3R)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 170543975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).