1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

C48H34F14N10O — CID 142362554

IUPAC1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC.CC(F)(F)c1cnc2cnc(-c3ccc(C4(C#N)CC4)cc3)cn12.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1.FC(F)(F)c1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1
InChIInChI=1S/C18H14F2N4.C14H7F6N3O.C14H7F6N3.C2H6/c1-17(19,20)15-8-23-16-9-22-14(10-24(15)16)12-2-4-13(5-3-12)18(11-21)6-7-18;15-13(16,17)11-5-22-12-6-21-10(7-23(11)12)8-1-3-9(4-2-8)24-14(18,19)20;15-13(16,17)9-3-1-8(2-4-9)10-7-23-11(14(18,19)20)5-22-12(23)6-21-10;1-2/h2-5,8-10H,6-7H2,1H3;1-7H;1-7H;1-2H3
InChIKeyIDNZURLMKXOORJ-UHFFFAOYSA-N
MW1032.84 g/mol
LogP13.84
Rot. Bonds6

About 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 142362554) has the molecular formula C48H34F14N10O and a molecular weight of 1032.84 g/mol. Its IUPAC name is 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID142362554
Molecular FormulaC48H34F14N10O
Molecular Weight1032.84 g/mol
Exact Mass1032.27
IUPAC Name1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC.CC(F)(F)c1cnc2cnc(-c3ccc(C4(C#N)CC4)cc3)cn12.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1.FC(F)(F)c1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1
InChIInChI=1S/C18H14F2N4.C14H7F6N3O.C14H7F6N3.C2H6/c1-17(19,20)15-8-23-16-9-22-14(10-24(15)16)12-2-4-13(5-3-12)18(11-21)6-7-18;15-13(16,17)11-5-22-12-6-21-10(7-23(11)12)8-1-3-9(4-2-8)24-14(18,19)20;15-13(16,17)9-3-1-8(2-4-9)10-7-23-11(14(18,19)20)5-22-12(23)6-21-10;1-2/h2-5,8-10H,6-7H2,1H3;1-7H;1-7H;1-2H3
InChIKeyIDNZURLMKXOORJ-UHFFFAOYSA-N
XLogP13.84
TPSA123.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.84
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

6-[6-(4-Methylpiperazin-1-yl)-3-pyridyl]-3-(4-phenoxyphenyl) imidazo[1,2-a]pyrazine
CID 126672970
4-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118356309
5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
CID 118413821
(R)-4-(8-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)imidazo [1,2-a]pyrazin-2-yl)-2-fluorobenzonitrile
CID 170261953
2-Fluoro-4-(3-(3-fluoro-4-methoxyphenyl)-8-((pyrrolidin-2-ylmethyl) amino)imidazo[1,2-a]pyrazin-2-yl)benzonitrile
CID 170261957
2-Fluoro-4-(3-(3-fluoro-4-methoxyphenyl)-8-(pyrrolidin-3-ylamino) imidazo[1,2-a]pyrazin-2-yl)benzonitrile
CID 170261966
4-(8-(4-Aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)imidazo [1,2-a]pyrazin-2-yl)-2-fluorobenzonitrile
CID 170262134
2-Fluoro-4-(3-(3-fluoro-4-methoxyphenyl)-8-(piperidin-3-ylamino) imidazo[1,2-a]pyrazin-2-yl)benzonitrile
CID 170262304
2-Fluoro-4-(3-(3-fluoro-4-methoxyphenyl)-8-((pyrrolidin-3-ylmethyl) amino)imidazo[1,2-a]pyrazin-2-yl)benzonitrile
CID 170262504
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-(p-methoxyphenyl)-, dibromide, monohydrate
CID 24839159
3-(4-Methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazine
CID 155551652
Imidazo(1,2-a)pyridine, 2-(p-methoxyphenyl)-, hydrochloride, hemihydrate
CID 3051120

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 142362554) is 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is CC.CC(F)(F)c1cnc2cnc(-c3ccc(C4(C#N)CC4)cc3)cn12.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1.FC(F)(F)c1ccc(-c2cn3c(C(F)(F)F)cnc3cn2)cc1.
What is the InChIKey of 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is IDNZURLMKXOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4.C14H7F6N3O.C14H7F6N3.C2H6/c1-17(19,20)15-8-23-16-9-22-14(10-24(15)16)12-2-4-13(5-3-12)18(11-21)6-7-18;15-13(16,17)11-5-22-12-6-21-10(7-23(11)12)8-1-3-9(4-2-8)24-14(18,19)20;15-13(16,17)9-3-1-8(2-4-9)10-7-23-11(14(18,19)20)5-22-12(23)6-21-10;1-2/h2-5,8-10H,6-7H2,1H3;1-7H;1-7H;1-2H3.
What are the key properties of 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 1032.84 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142362554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).