1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one

C20H24F3N7O2 — CID 168862908

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one
SMILESCCn1cc(Cn2cc(C)n(-c3nc(N4CCO[C@H](C)C4)cc(C(F)(F)F)n3)c2=O)cn1
InChIInChI=1S/C20H24F3N7O2/c1-4-29-12-15(8-24-29)11-28-9-13(2)30(19(28)31)18-25-16(20(21,22)23)7-17(26-18)27-5-6-32-14(3)10-27/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m1/s1
InChIKeyALJYGPSEGQMNQF-CQSZACIVSA-N
MW451.45 g/mol
LogP2.25
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one

1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one (PubChem CID 168862908) has the molecular formula C20H24F3N7O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one
PubChem CID168862908
Molecular FormulaC20H24F3N7O2
Molecular Weight451.45 g/mol
Exact Mass451.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one
SMILESCCn1cc(Cn2cc(C)n(-c3nc(N4CCO[C@H](C)C4)cc(C(F)(F)F)n3)c2=O)cn1
InChIInChI=1S/C20H24F3N7O2/c1-4-29-12-15(8-24-29)11-28-9-13(2)30(19(28)31)18-25-16(20(21,22)23)7-17(26-18)27-5-6-32-14(3)10-27/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m1/s1
InChIKeyALJYGPSEGQMNQF-CQSZACIVSA-N
XLogP2.25
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one (CID 168862908) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one is CCn1cc(Cn2cc(C)n(-c3nc(N4CCO[C@H](C)C4)cc(C(F)(F)F)n3)c2=O)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one?
The InChIKey is ALJYGPSEGQMNQF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24F3N7O2/c1-4-29-12-15(8-24-29)11-28-9-13(2)30(19(28)31)18-25-16(20(21,22)23)7-17(26-18)27-5-6-32-14(3)10-27/h7-9,12,14H,4-6,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one?
1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one has a molecular weight of 451.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-3-[4-[(2R)-2-methylmorpholin-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-2-one is sourced from PubChem (CID 168862908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).