tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C24H30F3N3O3 — CID 147691672

IUPACtert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)nc(C(F)(F)F)c12
InChIInChI=1S/C24H30F3N3O3/c1-13-8-7-9-30-18(13)19(24(25,26)27)28-20(30)23(5,6)10-16(31)17-14-11-29(12-15(14)17)21(32)33-22(2,3)4/h7-9,14-15,17H,10-12H2,1-6H3/t14-,15+,17?
InChIKeyGRCFIMYVONTGMI-FKEKPDDDSA-N
MW465.52 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 147691672) has the molecular formula C24H30F3N3O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID147691672
Molecular FormulaC24H30F3N3O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC Nametert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)nc(C(F)(F)F)c12
InChIInChI=1S/C24H30F3N3O3/c1-13-8-7-9-30-18(13)19(24(25,26)27)28-20(30)23(5,6)10-16(31)17-14-11-29(12-15(14)17)21(32)33-22(2,3)4/h7-9,14-15,17H,10-12H2,1-6H3/t14-,15+,17?
InChIKeyGRCFIMYVONTGMI-FKEKPDDDSA-N
XLogP5.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,5S)-6-[3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 159761175
tert-butyl 6-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123686398
tert-butyl 2-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346696
tert-butyl (1R,5S)-6-[2-(1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-2-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166949784
tert-butyl 6-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123719543
tert-butyl 6-(3-methoxy-3-oxopropanoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 135396371
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
tert-butyl 3-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 171785762
tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
CID 145079686
tert-butyl (1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 125129236

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 147691672) is tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)nc(C(F)(F)F)c12.
What is the InChIKey of tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is GRCFIMYVONTGMI-FKEKPDDDSA-N. The full InChI is InChI=1S/C24H30F3N3O3/c1-13-8-7-9-30-18(13)19(24(25,26)27)28-20(30)23(5,6)10-16(31)17-14-11-29(12-15(14)17)21(32)33-22(2,3)4/h7-9,14-15,17H,10-12H2,1-6H3/t14-,15+,17?.
What are the key properties of tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 465.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 147691672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).