2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one

C20H20FN7O — CID 56669107

IUPAC2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one
SMILESCC(C)n1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
InChIKeyVGIXLLYAMZATOQ-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.09
Rot. Bonds4

About 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one

2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one (PubChem CID 56669107) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one
PubChem CID56669107
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one
SMILESCC(C)n1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
InChIKeyVGIXLLYAMZATOQ-UHFFFAOYSA-N
XLogP2.09
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one (CID 56669107) is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one is CC(C)n1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1.
What is the InChIKey of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one?
The InChIKey is VGIXLLYAMZATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26).
What are the key properties of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one?
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one has a molecular weight of 393.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-4-one is sourced from PubChem (CID 56669107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).