4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane

C20H24F2N8 — CID 139357706

IUPAC4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane
SMILESCN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC12CCNCC2
InChIInChI=1S/C20H24F2N8/c1-28-8-9-29(13-20(28)3-6-23-7-4-20)16-2-5-24-19(27-16)15-10-26-17-11-25-14(18(21)22)12-30(15)17/h2,5,10-12,18,23H,3-4,6-9,13H2,1H3
InChIKeyYVMZMOLMORUSLZ-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.00
Rot. Bonds3

About 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane

4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 139357706) has the molecular formula C20H24F2N8 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane
PubChem CID139357706
Molecular FormulaC20H24F2N8
Molecular Weight414.46 g/mol
Exact Mass414.21
IUPAC Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane
SMILESCN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC12CCNCC2
InChIInChI=1S/C20H24F2N8/c1-28-8-9-29(13-20(28)3-6-23-7-4-20)16-2-5-24-19(27-16)15-10-26-17-11-25-14(18(21)22)12-30(15)17/h2,5,10-12,18,23H,3-4,6-9,13H2,1H3
InChIKeyYVMZMOLMORUSLZ-UHFFFAOYSA-N
XLogP2.00
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane (CID 139357706) is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane is CN1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC12CCNCC2.
What is the InChIKey of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is YVMZMOLMORUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8/c1-28-8-9-29(13-20(28)3-6-23-7-4-20)16-2-5-24-19(27-16)15-10-26-17-11-25-14(18(21)22)12-30(15)17/h2,5,10-12,18,23H,3-4,6-9,13H2,1H3.
What are the key properties of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane?
4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 414.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1-methyl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 139357706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).