1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C30H30F3N3O2 — CID 159655534

IUPAC1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1
InChIInChI=1S/C30H30F3N3O2/c1-20-13-18-36-28(19-20)34-21(2)29(36)27(37)12-5-22-3-8-25(9-4-22)35-16-14-24(15-17-35)23-6-10-26(11-7-23)38-30(31,32)33/h3-4,6-11,13,18-19,24H,5,12,14-17H2,1-2H3
InChIKeyMHNHDTIRBDVDHH-UHFFFAOYSA-N
MW521.58 g/mol
LogP7.05
Rot. Bonds7

About 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 159655534) has the molecular formula C30H30F3N3O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
PubChem CID159655534
Molecular FormulaC30H30F3N3O2
Molecular Weight521.58 g/mol
Exact Mass521.23
IUPAC Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1
InChIInChI=1S/C30H30F3N3O2/c1-20-13-18-36-28(19-20)34-21(2)29(36)27(37)12-5-22-3-8-25(9-4-22)35-16-14-24(15-17-35)23-6-10-26(11-7-23)38-30(31,32)33/h3-4,6-11,13,18-19,24H,5,12,14-17H2,1-2H3
InChIKeyMHNHDTIRBDVDHH-UHFFFAOYSA-N
XLogP7.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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
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
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-(1,1-difluoroethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 162068934
2-chloro-N-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166060364
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
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one
CID 167630420
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
CID 70874455
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-(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
N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442365

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 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) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is Cc1ccn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1.
What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The InChIKey is MHNHDTIRBDVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O2/c1-20-13-18-36-28(19-20)34-21(2)29(36)27(37)12-5-22-3-8-25(9-4-22)35-16-14-24(15-17-35)23-6-10-26(11-7-23)38-30(31,32)33/h3-4,6-11,13,18-19,24H,5,12,14-17H2,1-2H3.
What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 521.58 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 159655534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).