2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C23H27N7O — CID 56658718

IUPAC2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC(C)(C)C)c2)N=C1N
InChIInChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28)
InChIKeyAMYWYRFRJYJRAM-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56658718) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56658718
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC(C)(C)C)c2)N=C1N
InChIInChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28)
InChIKeyAMYWYRFRJYJRAM-UHFFFAOYSA-N
XLogP2.81
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.81
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-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56658718) is 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC(C)(C)C)c2)N=C1N.
What is the InChIKey of 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is AMYWYRFRJYJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28).
What are the key properties of 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 417.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56658718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).