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

C18H16F6N4O2 — CID 155884321

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol
SMILESCc1ccc(C(O)(C(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C18H16F6N4O2/c1-8-3-4-10(16(30,9(2)29)18(22,23)24)5-11(8)12-6-26-15-14(25)27-13(7-28(12)15)17(19,20)21/h3-7,9,29-30H,1-2H3,(H2,25,27)
InChIKeyDDHIABQPNCTNPX-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.44
Rot. Bonds3

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

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol (PubChem CID 155884321) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol
PubChem CID155884321
Molecular FormulaC18H16F6N4O2
Molecular Weight434.34 g/mol
Exact Mass434.12
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol
SMILESCc1ccc(C(O)(C(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C18H16F6N4O2/c1-8-3-4-10(16(30,9(2)29)18(22,23)24)5-11(8)12-6-26-15-14(25)27-13(7-28(12)15)17(19,20)21/h3-7,9,29-30H,1-2H3,(H2,25,27)
InChIKeyDDHIABQPNCTNPX-UHFFFAOYSA-N
XLogP3.44
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.44
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-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169074465
Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074537
1,1,1-trifluoro-2-[3-[6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169429063
N-[6-[3-(hydroxymethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49790220
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
CID 71553143
(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134139925
(2R)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134148873
(2S)-2-[5-(3-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134153997
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112
[4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 117769248

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol (CID 155884321) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol is Cc1ccc(C(O)(C(C)O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol?
The InChIKey is DDHIABQPNCTNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2/c1-8-3-4-10(16(30,9(2)29)18(22,23)24)5-11(8)12-6-26-15-14(25)27-13(7-28(12)15)17(19,20)21/h3-7,9,29-30H,1-2H3,(H2,25,27).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol has a molecular weight of 434.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluorobutane-2,3-diol is sourced from PubChem (CID 155884321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).