4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

C44H27F13N8O — CID 161147673

IUPAC4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(F)(F)Cc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.CCc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C22H13F8N3O.C22H14F5N5/c1-21(26,27)7-16-20(19-14(24)5-11(34)6-15(19)25)33-9-17(31-8-18(33)32-16)10-2-3-13(23)12(4-10)22(28,29)30;1-2-16-21(12-4-6-17-13(20(12)24)8-29-31-17)32-10-18(28-9-19(32)30-16)11-3-5-15(23)14(7-11)22(25,26)27/h2-6,8-9,34H,7H2,1H3;3-10H,2H2,1H3,(H,29,31)
InChIKeyUOGRDDJANJUHOJ-UHFFFAOYSA-N
MW930.73 g/mol
LogP12.20
Rot. Bonds7

About 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 161147673) has the molecular formula C44H27F13N8O and a molecular weight of 930.73 g/mol. Its IUPAC name is 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID161147673
Molecular FormulaC44H27F13N8O
Molecular Weight930.73 g/mol
Exact Mass930.21
IUPAC Name4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(F)(F)Cc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.CCc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F
InChIInChI=1S/C22H13F8N3O.C22H14F5N5/c1-21(26,27)7-16-20(19-14(24)5-11(34)6-15(19)25)33-9-17(31-8-18(33)32-16)10-2-3-13(23)12(4-10)22(28,29)30;1-2-16-21(12-4-6-17-13(20(12)24)8-29-31-17)32-10-18(28-9-19(32)30-16)11-3-5-15(23)14(7-11)22(25,26)27/h2-6,8-9,34H,7H2,1H3;3-10H,2H2,1H3,(H,29,31)
InChIKeyUOGRDDJANJUHOJ-UHFFFAOYSA-N
XLogP12.20
TPSA109.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.73
LogP ≤ 512.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223478
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227324
3-(4-fluoro-1H-indazol-5-yl)-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227359
2-fluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 155566881
5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136937840
US10071079, Example 497
CID 132272362
US10172858, Table 2.44
CID 136088628
US10022376, Example 113
CID 136215106
4-[4-[3-Methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]pyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 155540877
4-[6-[3-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162651271
4-[6-(1-Methylindazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162654813

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 161147673) is 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is CC(F)(F)Cc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.CCc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc2[nH]ncc2c1F.
What is the InChIKey of 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is UOGRDDJANJUHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F8N3O.C22H14F5N5/c1-21(26,27)7-16-20(19-14(24)5-11(34)6-15(19)25)33-9-17(31-8-18(33)32-16)10-2-3-13(23)12(4-10)22(28,29)30;1-2-16-21(12-4-6-17-13(20(12)24)8-29-31-17)32-10-18(28-9-19(32)30-16)11-3-5-15(23)14(7-11)22(25,26)27/h2-6,8-9,34H,7H2,1H3;3-10H,2H2,1H3,(H,29,31).
What are the key properties of 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 930.73 g/mol, XLogP of 12.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoropropyl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-ethyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 161147673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).