2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one

C19H18FN7O — CID 11990755

IUPAC2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
SMILESCCn1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
InChIKeyQFKPRVADZPYBNW-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one

2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one (PubChem CID 11990755) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
PubChem CID11990755
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
SMILESCCn1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1
InChIInChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
InChIKeyQFKPRVADZPYBNW-UHFFFAOYSA-N
XLogP1.53
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one (CID 11990755) is 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one is CCn1cc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cn1.
What is the InChIKey of 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is QFKPRVADZPYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25).
What are the key properties of 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 379.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 11990755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).