2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C18H17N7O — CID 56679262

IUPAC2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C)c2)N=C1N
InChIInChI=1S/C18H17N7O/c1-24-10-15(9-22-24)18(16(26)25(2)17(19)23-18)14-5-3-4-12(6-14)13-7-20-11-21-8-13/h3-11H,1-2H3,(H2,19,23)
InChIKeyCORGHEXKCNZSJU-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.91
Rot. Bonds3

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

2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56679262) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56679262
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C)c2)N=C1N
InChIInChI=1S/C18H17N7O/c1-24-10-15(9-22-24)18(16(26)25(2)17(19)23-18)14-5-3-4-12(6-14)13-7-20-11-21-8-13/h3-11H,1-2H3,(H2,19,23)
InChIKeyCORGHEXKCNZSJU-UHFFFAOYSA-N
XLogP0.91
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(4r)-2-Amino-1,3',3'-Trimethyl-7'-(Pyrimidin-5-Yl)-3',4'-Dihydro-2'h-Spiro[imidazole-4,1'-Naphthalen]-5(1h)-One
CID 66684136
2-Amino-5-(1-ethylpyrazol-4-yl)-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 11990755
2-Amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]imidazol-4-one
CID 15950003
2-Amino-5-(1-butylpyrazol-4-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 15950004
2-Amino-3-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 15950005
2-Amino-5-(1-butylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 15950006
2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-4-one
CID 15950085
2-Amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 15950086
rac-2-amino-4-(2-ethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950597
rac-2-amino-4-(2,6-dimethylpyridin-4-yl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950662
rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950667

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56679262) is 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(C)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is CORGHEXKCNZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24-10-15(9-22-24)18(16(26)25(2)17(19)23-18)14-5-3-4-12(6-14)13-7-20-11-21-8-13/h3-11H,1-2H3,(H2,19,23).
What are the key properties of 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 347.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(1-methylpyrazol-4-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56679262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).