2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol

C19H24F3N7O — CID 139357525

IUPAC2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccnc(C3=CNC4C=NC(C(F)(F)F)=CN34)n2)CC1
InChIInChI=1S/C19H24F3N7O/c1-18(2,30)12-27-5-7-28(8-6-27)15-3-4-23-17(26-15)13-9-25-16-10-24-14(11-29(13)16)19(20,21)22/h3-4,9-11,16,25,30H,5-8,12H2,1-2H3
InChIKeyAKKAIFDNZGLJGF-UHFFFAOYSA-N
MW423.44 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol

2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (PubChem CID 139357525) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
PubChem CID139357525
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Name2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccnc(C3=CNC4C=NC(C(F)(F)F)=CN34)n2)CC1
InChIInChI=1S/C19H24F3N7O/c1-18(2,30)12-27-5-7-28(8-6-27)15-3-4-23-17(26-15)13-9-25-16-10-24-14(11-29(13)16)19(20,21)22/h3-4,9-11,16,25,30H,5-8,12H2,1-2H3
InChIKeyAKKAIFDNZGLJGF-UHFFFAOYSA-N
XLogP1.39
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (CID 139357525) is 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol is CC(C)(O)CN1CCN(c2ccnc(C3=CNC4C=NC(C(F)(F)F)=CN34)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is AKKAIFDNZGLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-18(2,30)12-27-5-7-28(8-6-27)15-3-4-23-17(26-15)13-9-25-16-10-24-14(11-29(13)16)19(20,21)22/h3-4,9-11,16,25,30H,5-8,12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 423.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 139357525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).