6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

C30H18F13N7O3 — CID 142362550

IUPAC6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C16H11F6N3O2.C14H7F7N4O/c1-26-8-9-4-10(27-16(20,21)22)2-3-11(9)12-7-25-13(15(17,18)19)5-24-14(25)6-23-12;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9/h2-7H,8H2,1H3;1-5H,6H2
InChIKeyUCZIPJFJLBWMGY-UHFFFAOYSA-N
MW771.49 g/mol
LogP8.35
Rot. Bonds7

About 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 142362550) has the molecular formula C30H18F13N7O3 and a molecular weight of 771.49 g/mol. Its IUPAC name is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID142362550
Molecular FormulaC30H18F13N7O3
Molecular Weight771.49 g/mol
Exact Mass771.13
IUPAC Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C16H11F6N3O2.C14H7F7N4O/c1-26-8-9-4-10(27-16(20,21)22)2-3-11(9)12-7-25-13(15(17,18)19)5-24-14(25)6-23-12;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9/h2-7H,8H2,1H3;1-5H,6H2
InChIKeyUCZIPJFJLBWMGY-UHFFFAOYSA-N
XLogP8.35
TPSA100.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.49
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Methyl substituted pyrazole, 27
CID 23648674
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
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
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 142362550) is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is UCZIPJFJLBWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2.C14H7F7N4O/c1-26-8-9-4-10(27-16(20,21)22)2-3-11(9)12-7-25-13(15(17,18)19)5-24-14(25)6-23-12;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9/h2-7H,8H2,1H3;1-5H,6H2.
What are the key properties of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 771.49 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142362550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).