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

C16H15F3N6O — CID 153331229

IUPAC1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)5-10-8-25-12(6-22-14(25)7-21-10)15-20-3-1-13(23-15)24-4-2-11(26)9-24/h1,3,6-8,11,26H,2,4-5,9H2
InChIKeyDHMFTTBNCNNRLN-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.86
Rot. Bonds3

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

1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 153331229) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID153331229
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)5-10-8-25-12(6-22-14(25)7-21-10)15-20-3-1-13(23-15)24-4-2-11(26)9-24/h1,3,6-8,11,26H,2,4-5,9H2
InChIKeyDHMFTTBNCNNRLN-UHFFFAOYSA-N
XLogP1.86
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 153331229) is 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(-c3cnc4cnc(CC(F)(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is DHMFTTBNCNNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)5-10-8-25-12(6-22-14(25)7-21-10)15-20-3-1-13(23-15)24-4-2-11(26)9-24/h1,3,6-8,11,26H,2,4-5,9H2.
What are the key properties of 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 364.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 153331229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).