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

C30H45F3N6O2 — CID 171753036

IUPAC2-[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
SMILESCO[C@@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H45F3N6O2/c1-36-19-34-35-28(36)27(21-7-5-8-21)22-9-6-10-23(14-22)38-18-26-25(30(31,32)33)13-20(16-39(26)29(38)40)15-37-12-4-3-11-24(17-37)41-2/h13,16,18,21-24,27-28,34-35H,3-12,14-15,17,19H2,1-2H3/t22?,23?,24-,27-,28?/m1/s1
InChIKeyXBPDCRDKBHPILJ-GNAPXWCESA-N
MW578.72 g/mol
LogP4.59
Rot. Bonds7

About 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

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 (PubChem CID 171753036) has the molecular formula C30H45F3N6O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171753036
Molecular FormulaC30H45F3N6O2
Molecular Weight578.72 g/mol
Exact Mass578.36
IUPAC Name2-[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
SMILESCO[C@@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1
InChIInChI=1S/C30H45F3N6O2/c1-36-19-34-35-28(36)27(21-7-5-8-21)22-9-6-10-23(14-22)38-18-26-25(30(31,32)33)13-20(16-39(26)29(38)40)15-37-12-4-3-11-24(17-37)41-2/h13,16,18,21-24,27-28,34-35H,3-12,14-15,17,19H2,1-2H3/t22?,23?,24-,27-,28?/m1/s1
InChIKeyXBPDCRDKBHPILJ-GNAPXWCESA-N
XLogP4.59
TPSA66.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.72
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-methoxyazepan-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-methoxyazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753036) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[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-methoxyazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is XBPDCRDKBHPILJ-GNAPXWCESA-N. The full InChI is InChI=1S/C30H45F3N6O2/c1-36-19-34-35-28(36)27(21-7-5-8-21)22-9-6-10-23(14-22)38-18-26-25(30(31,32)33)13-20(16-39(26)29(38)40)15-37-12-4-3-11-24(17-37)41-2/h13,16,18,21-24,27-28,34-35H,3-12,14-15,17,19H2,1-2H3/t22?,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-methoxyazepan-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-methoxyazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 578.72 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-methoxyazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).