1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one

C21H16F3N5O2 — CID 167630879

IUPAC1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one
SMILESCc1cnc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O2/c1-13-8-26-15(7-17(13)21(22,23)24)6-16(30)12-31-20-3-2-14(9-28-20)18-10-27-19-11-25-4-5-29(18)19/h2-5,7-11H,6,12H2,1H3
InChIKeyWAUORHYVWLLQBR-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.70
Rot. Bonds6

About 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one

1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one (PubChem CID 167630879) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one
PubChem CID167630879
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one
SMILESCc1cnc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O2/c1-13-8-26-15(7-17(13)21(22,23)24)6-16(30)12-31-20-3-2-14(9-28-20)18-10-27-19-11-25-4-5-29(18)19/h2-5,7-11H,6,12H2,1H3
InChIKeyWAUORHYVWLLQBR-UHFFFAOYSA-N
XLogP3.70
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
Imidazopyridine 10d
CID 5329343
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180
2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 71572051
6-[4-(Difluoromethoxy)phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179613
6-{6-[2-(1-ethylpiperidin-4-yl)ethoxy]-5-(trifluoromethyl)pyridin-3-yl}-9-methyl-9H-purine-2-carbonitrile
CID 71761629
6-[6-[2-(1-Cyclobutylpiperidin-4-yl)ethoxy]-5-(trifluoromethyl)pyridin-3-yl]-9-methylpurine-2-carbonitrile
CID 72194229

Frequently Asked Questions

What is the IUPAC name of 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one (CID 167630879) is 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one is Cc1cnc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.
What is the InChIKey of 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one?
The InChIKey is WAUORHYVWLLQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-13-8-26-15(7-17(13)21(22,23)24)6-16(30)12-31-20-3-2-14(9-28-20)18-10-27-19-11-25-4-5-29(18)19/h2-5,7-11H,6,12H2,1H3.
What are the key properties of 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one?
1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one has a molecular weight of 427.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167630879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).