3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one

C27H32FN3O — CID 42782893

IUPAC3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
SMILESCc1ccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3ccccc3F)cnc2c1
InChIInChI=1S/C27H32FN3O/c1-18-9-10-30-23(15-29-24(30)11-18)21(20-7-5-6-8-22(20)28)12-25(32)31-17-27(4)14-19(31)13-26(2,3)16-27/h5-11,15,19,21H,12-14,16-17H2,1-4H3
InChIKeyWNFHJNCGCJEAJS-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.73
Rot. Bonds4

About 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one

3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one (PubChem CID 42782893) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
PubChem CID42782893
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC Name3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
SMILESCc1ccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3ccccc3F)cnc2c1
InChIInChI=1S/C27H32FN3O/c1-18-9-10-30-23(15-29-24(30)11-18)21(20-7-5-6-8-22(20)28)12-25(32)31-17-27(4)14-19(31)13-26(2,3)16-27/h5-11,15,19,21H,12-14,16-17H2,1-4H3
InChIKeyWNFHJNCGCJEAJS-UHFFFAOYSA-N
XLogP5.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylpropanamide
CID 42782890
1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4575528
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4532247
N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3715906
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5050636
(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 74238967
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
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181
2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
(3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 7332077
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-fluorobenzoate
CID 7873271
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one (CID 42782893) is 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one is Cc1ccn2c(C(CC(=O)N3CC4(C)CC3CC(C)(C)C4)c3ccccc3F)cnc2c1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
The InChIKey is WNFHJNCGCJEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c1-18-9-10-30-23(15-29-24(30)11-18)21(20-7-5-6-8-22(20)28)12-25(32)31-17-27(4)14-19(31)13-26(2,3)16-27/h5-11,15,19,21H,12-14,16-17H2,1-4H3.
What are the key properties of 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one?
3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one has a molecular weight of 433.57 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one is sourced from PubChem (CID 42782893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).