1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one

C21H15F3N6O — CID 160540813

IUPAC1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2cnccn2)nc1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)20-8-15(3-4-27-20)19-12-30(13-29-19)11-16(31)7-14-1-2-17(28-9-14)18-10-25-5-6-26-18/h1-6,8-10,12-13H,7,11H2
InChIKeyQWTIENUNEOYDHA-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one

1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one (PubChem CID 160540813) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
PubChem CID160540813
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
SMILESO=C(Cc1ccc(-c2cnccn2)nc1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)20-8-15(3-4-27-20)19-12-30(13-29-19)11-16(31)7-14-1-2-17(28-9-14)18-10-25-5-6-26-18/h1-6,8-10,12-13H,7,11H2
InChIKeyQWTIENUNEOYDHA-UHFFFAOYSA-N
XLogP3.63
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
CID 161194344
1-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
CID 157487452
N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 167075223
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 118500236
N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
CID 141442757
2-[4-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-pyrazin-2-yl-4H-azepin-7-yl)acetamide
CID 139308659
N-[[2-oxo-6-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyridin-4-yl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 66632513
17-oxo-18-[6-(trifluoromethyl)-3-pyridinyl]octadecanoic acid
CID 158712353
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 91262595
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
CID 86591825
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The IUPAC name of 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one (CID 160540813) is 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The canonical SMILES for 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one is O=C(Cc1ccc(-c2cnccn2)nc1)Cn1cnc(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
The InChIKey is QWTIENUNEOYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c22-21(23,24)20-8-15(3-4-27-20)19-12-30(13-29-19)11-16(31)7-14-1-2-17(28-9-14)18-10-25-5-6-26-18/h1-6,8-10,12-13H,7,11H2.
What are the key properties of 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one?
1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one has a molecular weight of 424.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one is sourced from PubChem (CID 160540813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).