2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C18H19F3N6O — CID 139359161

IUPAC2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)7-13-11-27-14(8-24-16(27)9-23-13)17-22-4-1-15(25-17)26-5-2-12(10-26)3-6-28/h1,4,8-9,11-12,28H,2-3,5-7,10H2
InChIKeyRBGPTARQAGEEAJ-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 139359161) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID139359161
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)7-13-11-27-14(8-24-16(27)9-23-13)17-22-4-1-15(25-17)26-5-2-12(10-26)3-6-28/h1,4,8-9,11-12,28H,2-3,5-7,10H2
InChIKeyRBGPTARQAGEEAJ-UHFFFAOYSA-N
XLogP2.50
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 139359161) is 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1.
What is the InChIKey of 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is RBGPTARQAGEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c19-18(20,21)7-13-11-27-14(8-24-16(27)9-23-13)17-22-4-1-15(25-17)26-5-2-12(10-26)3-6-28/h1,4,8-9,11-12,28H,2-3,5-7,10H2.
What are the key properties of 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 392.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 139359161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).