(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

C17H14F6N4O2 — CID 166595933

IUPAC(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F6N4O2/c1-8-2-3-9(15(29,7-28)17(21,22)23)4-10(8)11-5-25-14-13(24)26-12(6-27(11)14)16(18,19)20/h2-6,28-29H,7H2,1H3,(H2,24,26)/t15-/m1/s1
InChIKeyIANJJQIWXJMBHK-OAHLLOKOSA-N
MW420.31 g/mol
LogP3.05
Rot. Bonds3

About (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 166595933) has the molecular formula C17H14F6N4O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID166595933
Molecular FormulaC17H14F6N4O2
Molecular Weight420.31 g/mol
Exact Mass420.10
IUPAC Name(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F6N4O2/c1-8-2-3-9(15(29,7-28)17(21,22)23)4-10(8)11-5-25-14-13(24)26-12(6-27(11)14)16(18,19)20/h2-6,28-29H,7H2,1H3,(H2,24,26)/t15-/m1/s1
InChIKeyIANJJQIWXJMBHK-OAHLLOKOSA-N
XLogP3.05
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
3,5-Difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287267
3,5-Difluoro-4-[6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287279
3-Fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401383
4-[2-Ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol
CID 142401403
4-[2-Ethyl-6-[4-fluoro-3-(perfluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 142401405
3-Fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401417
3,5-Difluoro-4-[2-methyl-6-[3-(perfluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401428
4-[2-Methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401442
4-[2-Ethyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 146301756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The IUPAC name of (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 166595933) is (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.
What is the SMILES notation for (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The canonical SMILES for (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ccc([C@](O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is IANJJQIWXJMBHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14F6N4O2/c1-8-2-3-9(15(29,7-28)17(21,22)23)4-10(8)11-5-25-14-13(24)26-12(6-27(11)14)16(18,19)20/h2-6,28-29H,7H2,1H3,(H2,24,26)/t15-/m1/s1.
What are the key properties of (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
(2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 420.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 166595933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).