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

C25H29N7O — CID 56682312

IUPAC2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC3CCCCC3)c2)N=C1N
InChIInChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30)
InChIKeyIMPSJODCGOEHNO-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.34
Rot. Bonds6

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

2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56682312) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56682312
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC3CCCCC3)c2)N=C1N
InChIInChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30)
InChIKeyIMPSJODCGOEHNO-UHFFFAOYSA-N
XLogP3.34
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56682312) is 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cnn(CCC3CCCCC3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is IMPSJODCGOEHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30).
What are the key properties of 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 443.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(2-cyclohexylethyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56682312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).