2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C27H24F3N3O3 — CID 164968826

IUPAC2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20/h1-8,14-16,20H,9-13,17H2
InChIKeyCVNKGSDUNSJLHH-UHFFFAOYSA-N
MW495.50 g/mol
LogP5.65
Rot. Bonds7

About 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 164968826) has the molecular formula C27H24F3N3O3 and a molecular weight of 495.50 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID164968826
Molecular FormulaC27H24F3N3O3
Molecular Weight495.50 g/mol
Exact Mass495.18
IUPAC Name2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20/h1-8,14-16,20H,9-13,17H2
InChIKeyCVNKGSDUNSJLHH-UHFFFAOYSA-N
XLogP5.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
(1H-benzo[d]imidazol-2-yl)(4-(3-(2-(trifluoromethyl)pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 46207696

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 164968826) is 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is CVNKGSDUNSJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20/h1-8,14-16,20H,9-13,17H2.
What are the key properties of 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 495.50 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 164968826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).