2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H41F3N6O2 — CID 166079289

IUPAC2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-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([C@H](c5nncn5C)C5CC(C)(O)C5)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H41F3N6O2/c1-19-6-5-9-37(14-19)15-20-10-24(30(31,32)33)25-17-38(28(40)39(25)16-20)23-8-4-7-21(11-23)26(22-12-29(2,41)13-22)27-35-34-18-36(27)3/h10,16-19,21-23,26,41H,4-9,11-15H2,1-3H3/t19-,21?,22?,23?,26-,29?/m0/s1
InChIKeyWUCIOTICARHLOE-JZPGJNIISA-N
MW574.69 g/mol
LogP5.16
Rot. Bonds6

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

2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079289) has the molecular formula C30H41F3N6O2 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166079289
Molecular FormulaC30H41F3N6O2
Molecular Weight574.69 g/mol
Exact Mass574.32
IUPAC Name2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-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([C@H](c5nncn5C)C5CC(C)(O)C5)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H41F3N6O2/c1-19-6-5-9-37(14-19)15-20-10-24(30(31,32)33)25-17-38(28(40)39(25)16-20)23-8-4-7-21(11-23)26(22-12-29(2,41)13-22)27-35-34-18-36(27)3/h10,16-19,21-23,26,41H,4-9,11-15H2,1-3H3/t19-,21?,22?,23?,26-,29?/m0/s1
InChIKeyWUCIOTICARHLOE-JZPGJNIISA-N
XLogP5.16
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079289) is 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-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([C@H](c5nncn5C)C5CC(C)(O)C5)C4)c(=O)n3c2)C1.
What is the InChIKey of 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is WUCIOTICARHLOE-JZPGJNIISA-N. The full InChI is InChI=1S/C30H41F3N6O2/c1-19-6-5-9-37(14-19)15-20-10-24(30(31,32)33)25-17-38(28(40)39(25)16-20)23-8-4-7-21(11-23)26(22-12-29(2,41)13-22)27-35-34-18-36(27)3/h10,16-19,21-23,26,41H,4-9,11-15H2,1-3H3/t19-,21?,22?,23?,26-,29?/m0/s1.
What are the key properties of 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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 574.69 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-(3-hydroxy-3-methylcyclobutyl)-(4-methyl-1,2,4-triazol-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 166079289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).