6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

C20H13ClF3N3O — CID 144630432

IUPAC6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(Cl)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C20H13ClF3N3O/c1-28-18-8-14(21)6-7-15(18)16-11-27-17(9-26-19(27)10-25-16)12-2-4-13(5-3-12)20(22,23)24/h2-11H,1H3
InChIKeyNZMXQGCINAKTMZ-UHFFFAOYSA-N
MW403.79 g/mol
LogP5.74
Rot. Bonds3

About 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 144630432) has the molecular formula C20H13ClF3N3O and a molecular weight of 403.79 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID144630432
Molecular FormulaC20H13ClF3N3O
Molecular Weight403.79 g/mol
Exact Mass403.07
IUPAC Name6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(Cl)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C20H13ClF3N3O/c1-28-18-8-14(21)6-7-15(18)16-11-27-17(9-26-19(27)10-25-16)12-2-4-13(5-3-12)20(22,23)24/h2-11H,1H3
InChIKeyNZMXQGCINAKTMZ-UHFFFAOYSA-N
XLogP5.74
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155546710
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
3-(2-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 155549099
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridine;6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 158794093
N-(6-chloro-5-methyl-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157070
N-(4-methoxy-2-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157643
3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155545000
2-[5-(4-chloro-2-methoxyphenyl)-3-ethylsulfonyl-2-pyridinyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685549
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
N-(6-chloro-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767851
4-[6-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]benzonitrile
CID 155568839

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 144630432) is 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is COc1cc(Cl)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is NZMXQGCINAKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O/c1-28-18-8-14(21)6-7-15(18)16-11-27-17(9-26-19(27)10-25-16)12-2-4-13(5-3-12)20(22,23)24/h2-11H,1H3.
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 403.79 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 144630432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).