2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one

C18H15F3N8O2 — CID 158254944

IUPAC2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)N1
InChIInChI=1S/C18H15F3N8O2/c19-18(20,21)12-9-29-10(5-24-14(29)6-23-12)16-22-2-1-13(26-16)28-3-4-31-11(8-28)17-25-7-15(30)27-17/h1-2,5-6,9,11H,3-4,7-8H2,(H,25,27,30)
InChIKeyLCWRSFNFNZHGGB-UHFFFAOYSA-N
MW432.37 g/mol
LogP0.94
Rot. Bonds3

About 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one

2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one (PubChem CID 158254944) has the molecular formula C18H15F3N8O2 and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one
PubChem CID158254944
Molecular FormulaC18H15F3N8O2
Molecular Weight432.37 g/mol
Exact Mass432.13
IUPAC Name2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)N1
InChIInChI=1S/C18H15F3N8O2/c19-18(20,21)12-9-29-10(5-24-14(29)6-23-12)16-22-2-1-13(26-16)28-3-4-31-11(8-28)17-25-7-15(30)27-17/h1-2,5-6,9,11H,3-4,7-8H2,(H,25,27,30)
InChIKeyLCWRSFNFNZHGGB-UHFFFAOYSA-N
XLogP0.94
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
1-[4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357652
1-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
(E)-3-imino-2-[6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]prop-1-en-1-amine
CID 139357654
[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 139357655
(E)-2-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
CID 139357665
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
CID 139357703
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 139357704
(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139357809
7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 139357998
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139358002
2-[4-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanamine
CID 139358058

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one (CID 158254944) is 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one is O=C1CN=C(C2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CCO2)N1.
What is the InChIKey of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one?
The InChIKey is LCWRSFNFNZHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8O2/c19-18(20,21)12-9-29-10(5-24-14(29)6-23-12)16-22-2-1-13(26-16)28-3-4-31-11(8-28)17-25-7-15(30)27-17/h1-2,5-6,9,11H,3-4,7-8H2,(H,25,27,30).
What are the key properties of 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one?
2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one has a molecular weight of 432.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 158254944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).