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

C26H22F4N2O2 — CID 167630420

IUPAC1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one
SMILESCc1ccn2c(C(=O)CCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C26H22F4N2O2/c1-16-11-12-32-24(13-16)31-17(2)25(32)23(33)10-4-18-3-9-21(22(27)14-18)19-5-7-20(8-6-19)34-15-26(28,29)30/h3,5-9,11-14H,4,10,15H2,1-2H3
InChIKeyNSCYRJFTGRRYTQ-UHFFFAOYSA-N
MW470.47 g/mol
LogP6.51
Rot. Bonds7

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

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one (PubChem CID 167630420) has the molecular formula C26H22F4N2O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one
PubChem CID167630420
Molecular FormulaC26H22F4N2O2
Molecular Weight470.47 g/mol
Exact Mass470.16
IUPAC Name1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one
SMILESCc1ccn2c(C(=O)CCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C26H22F4N2O2/c1-16-11-12-32-24(13-16)31-17(2)25(32)23(33)10-4-18-3-9-21(22(27)14-18)19-5-7-20(8-6-19)34-15-26(28,29)30/h3,5-9,11-14H,4,10,15H2,1-2H3
InChIKeyNSCYRJFTGRRYTQ-UHFFFAOYSA-N
XLogP6.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202255
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
5-[3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-oxopropyl]-3H-1-benzofuran-2-one
CID 159453221
1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 162083240
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
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855856
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
2-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 142266365
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 161228612
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
CID 152815930

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one?
The IUPAC name of 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) is 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one is Cc1ccn2c(C(=O)CCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1.
What is the InChIKey of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one?
The InChIKey is NSCYRJFTGRRYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N2O2/c1-16-11-12-32-24(13-16)31-17(2)25(32)23(33)10-4-18-3-9-21(22(27)14-18)19-5-7-20(8-6-19)34-15-26(28,29)30/h3,5-9,11-14H,4,10,15H2,1-2H3.
What are the key properties of 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one?
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one has a molecular weight of 470.47 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 167630420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).