3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one

C28H32F3N3O — CID 4257059

IUPAC3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
SMILESCc1cccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3cccc(C(F)(F)F)c3)cnc12
InChIInChI=1S/C28H32F3N3O/c1-18-7-6-10-33-23(15-32-25(18)33)22(19-8-5-9-20(11-19)28(29,30)31)12-24(35)34-17-27(4)14-21(34)13-26(2,3)16-27/h5-11,15,21-22H,12-14,16-17H2,1-4H3
InChIKeyVTKWADBWCNJWGH-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.61
Rot. Bonds4

About 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one

3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one (PubChem CID 4257059) has the molecular formula C28H32F3N3O and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
PubChem CID4257059
Molecular FormulaC28H32F3N3O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
SMILESCc1cccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3cccc(C(F)(F)F)c3)cnc12
InChIInChI=1S/C28H32F3N3O/c1-18-7-6-10-33-23(15-32-25(18)33)22(19-8-5-9-20(11-19)28(29,30)31)12-24(35)34-17-27(4)14-21(34)13-26(2,3)16-27/h5-11,15,21-22H,12-14,16-17H2,1-4H3
InChIKeyVTKWADBWCNJWGH-UHFFFAOYSA-N
XLogP6.61
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one with MolForge

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Related Compounds

N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
N-(furan-2-ylmethyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3533299
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42783812
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 5174116
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4206782
ethyl (2E)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetate
CID 6264442
1-[1-oxo-3-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42704852
1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4695381
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 98419082
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3341343
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571

Frequently Asked Questions

What is the IUPAC name of 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The IUPAC name of 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one (CID 4257059) is 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one.
What is the SMILES notation for 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The canonical SMILES for 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one is Cc1cccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3cccc(C(F)(F)F)c3)cnc12.
What is the InChIKey of 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The InChIKey is VTKWADBWCNJWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O/c1-18-7-6-10-33-23(15-32-25(18)33)22(19-8-5-9-20(11-19)28(29,30)31)12-24(35)34-17-27(4)14-21(34)13-26(2,3)16-27/h5-11,15,21-22H,12-14,16-17H2,1-4H3.
What are the key properties of 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one has a molecular weight of 483.58 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one is sourced from PubChem (CID 4257059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).