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

C16H15F3N6O — CID 139358413

IUPAC[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-8-25-11(5-22-14(25)6-21-12)15-20-3-1-13(23-15)24-4-2-10(7-24)9-26/h1,3,5-6,8,10,26H,2,4,7,9H2
InChIKeyDRHXMVKHVMNTMG-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.02
Rot. Bonds3

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

[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 139358413) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID139358413
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)12-8-25-11(5-22-14(25)6-21-12)15-20-3-1-13(23-15)24-4-2-10(7-24)9-26/h1,3,5-6,8,10,26H,2,4,7,9H2
InChIKeyDRHXMVKHVMNTMG-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 139358413) is [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is OCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is DRHXMVKHVMNTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)12-8-25-11(5-22-14(25)6-21-12)15-20-3-1-13(23-15)24-4-2-10(7-24)9-26/h1,3,5-6,8,10,26H,2,4,7,9H2.
What are the key properties of [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 364.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 139358413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).