(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C25H27FN8O2 — CID 163962916

IUPAC(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILES[2H]C([2H])([2H])OC([2H])([2H])[C@H]1Cn2cc(-c3nc(Nc4ccnn4C([2H])([2H])[2H])ncc3C)nc2C(=O)N1Cc1ccc(C)c(F)c1
InChIInChI=1S/C25H27FN8O2/c1-15-5-6-17(9-19(15)26)11-34-18(14-36-4)12-33-13-20(29-23(33)24(34)35)22-16(2)10-27-25(31-22)30-21-7-8-28-32(21)3/h5-10,13,18H,11-12,14H2,1-4H3,(H,27,30,31)/t18-/m1/s1/i3D3,4D3,14D2
InChIKeyMDWCWOSPOXROTF-ZVGUSCBPSA-N
MW498.59 g/mol
LogP3.24
Rot. Bonds9

About (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 163962916) has the molecular formula C25H27FN8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID163962916
Molecular FormulaC25H27FN8O2
Molecular Weight498.59 g/mol
Exact Mass498.27
IUPAC Name(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILES[2H]C([2H])([2H])OC([2H])([2H])[C@H]1Cn2cc(-c3nc(Nc4ccnn4C([2H])([2H])[2H])ncc3C)nc2C(=O)N1Cc1ccc(C)c(F)c1
InChIInChI=1S/C25H27FN8O2/c1-15-5-6-17(9-19(15)26)11-34-18(14-36-4)12-33-13-20(29-23(33)24(34)35)22-16(2)10-27-25(31-22)30-21-7-8-28-32(21)3/h5-10,13,18H,11-12,14H2,1-4H3,(H,27,30,31)/t18-/m1/s1/i3D3,4D3,14D2
InChIKeyMDWCWOSPOXROTF-ZVGUSCBPSA-N
XLogP3.24
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 163962916) is (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is [2H]C([2H])([2H])OC([2H])([2H])[C@H]1Cn2cc(-c3nc(Nc4ccnn4C([2H])([2H])[2H])ncc3C)nc2C(=O)N1Cc1ccc(C)c(F)c1.
What is the InChIKey of (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is MDWCWOSPOXROTF-ZVGUSCBPSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-15-5-6-17(9-19(15)26)11-34-18(14-36-4)12-33-13-20(29-23(33)24(34)35)22-16(2)10-27-25(31-22)30-21-7-8-28-32(21)3/h5-10,13,18H,11-12,14H2,1-4H3,(H,27,30,31)/t18-/m1/s1/i3D3,4D3,14D2.
What are the key properties of (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
(6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 498.59 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[dideuterio(trideuteriomethoxy)methyl]-7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 163962916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).