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

C18H19F3N6O — CID 139358410

IUPAC2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c1-17(2,28)11-4-6-26(9-11)14-3-5-22-16(25-14)12-7-24-15-8-23-13(10-27(12)15)18(19,20)21/h3,5,7-8,10-11,28H,4,6,9H2,1-2H3
InChIKeyBAJCBIIUEOHYJQ-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.80
Rot. Bonds3

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 139358410) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
PubChem CID139358410
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c1-17(2,28)11-4-6-26(9-11)14-3-5-22-16(25-14)12-7-24-15-8-23-13(10-27(12)15)18(19,20)21/h3,5,7-8,10-11,28H,4,6,9H2,1-2H3
InChIKeyBAJCBIIUEOHYJQ-UHFFFAOYSA-N
XLogP2.80
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.80
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-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol (CID 139358410) is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol is CC(C)(O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is BAJCBIIUEOHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-17(2,28)11-4-6-26(9-11)14-3-5-22-16(25-14)12-7-24-15-8-23-13(10-27(12)15)18(19,20)21/h3,5,7-8,10-11,28H,4,6,9H2,1-2H3.
What are the key properties of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 392.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 139358410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).