1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C30H29F4N3O2 — CID 158415322

IUPAC1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1
InChIInChI=1S/C30H29F4N3O2/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3
InChIKeyALAWMRQBNPAKPT-UHFFFAOYSA-N
MW539.57 g/mol
LogP7.19
Rot. Bonds7

About 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 158415322) has the molecular formula C30H29F4N3O2 and a molecular weight of 539.57 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
PubChem CID158415322
Molecular FormulaC30H29F4N3O2
Molecular Weight539.57 g/mol
Exact Mass539.22
IUPAC Name1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1
InChIInChI=1S/C30H29F4N3O2/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3
InChIKeyALAWMRQBNPAKPT-UHFFFAOYSA-N
XLogP7.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 159655534
1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;hydrochloride
CID 167682022
7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202004
3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]-1-(2-methylimidazo[1,2-a]pyrazin-3-yl)propan-1-one
CID 167644278
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 162068934
N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442365
6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 163202391
1-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 159209813
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]propan-1-one
CID 118944760
2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166060364

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 158415322) is 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is Cc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1.
What is the InChIKey of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The InChIKey is ALAWMRQBNPAKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O2/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3.
What are the key properties of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 539.57 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 158415322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).