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

C30H45F3N6O — CID 171753583

IUPAC2-[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
SMILESC[C@@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H45F3N6O/c1-20-7-3-4-12-37(15-20)16-21-13-25(30(31,32)33)26-18-38(29(40)39(26)17-21)24-11-6-10-23(14-24)27(22-8-5-9-22)28-35-34-19-36(28)2/h13,17-18,20,22-24,27-28,34-35H,3-12,14-16,19H2,1-2H3/t20-,23?,24?,27-,28?/m1/s1
InChIKeyBHKFFNRFAWRMGF-BQTRCFOPSA-N
MW562.73 g/mol
LogP5.21
Rot. Bonds6

About 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

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 (PubChem CID 171753583) has the molecular formula C30H45F3N6O and a molecular weight of 562.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171753583
Molecular FormulaC30H45F3N6O
Molecular Weight562.73 g/mol
Exact Mass562.36
IUPAC Name2-[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
SMILESC[C@@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H45F3N6O/c1-20-7-3-4-12-37(15-20)16-21-13-25(30(31,32)33)26-18-38(29(40)39(26)17-21)24-11-6-10-23(14-24)27(22-8-5-9-22)28-35-34-19-36(28)2/h13,17-18,20,22-24,27-28,34-35H,3-12,14-16,19H2,1-2H3/t20-,23?,24?,27-,28?/m1/s1
InChIKeyBHKFFNRFAWRMGF-BQTRCFOPSA-N
XLogP5.21
TPSA56.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1.
What is the InChIKey of 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?
The InChIKey is BHKFFNRFAWRMGF-BQTRCFOPSA-N. The full InChI is InChI=1S/C30H45F3N6O/c1-20-7-3-4-12-37(15-20)16-21-13-25(30(31,32)33)26-18-38(29(40)39(26)17-21)24-11-6-10-23(14-24)27(22-8-5-9-22)28-35-34-19-36(28)2/h13,17-18,20,22-24,27-28,34-35H,3-12,14-16,19H2,1-2H3/t20-,23?,24?,27-,28?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 562.73 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171753583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).