2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one

C13H13N7O2 — CID 59603543

IUPAC2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESO=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C13H13N7O2/c21-9-5-19(6-9)11-3-12(16-7-15-11)20-13(22)10(4-17-20)18-2-1-14-8-18/h1-4,7-9,17,21H,5-6H2
InChIKeyDYSIETSQGCIBKJ-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.68
Rot. Bonds3

About 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one

2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one (PubChem CID 59603543) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
PubChem CID59603543
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESO=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C13H13N7O2/c21-9-5-19(6-9)11-3-12(16-7-15-11)20-13(22)10(4-17-20)18-2-1-14-8-18/h1-4,7-9,17,21H,5-6H2
InChIKeyDYSIETSQGCIBKJ-UHFFFAOYSA-N
XLogP-0.68
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-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

Molidustat
CID 59603622
2-[6-[3-(dimethylamino)azetidin-1-yl]pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 44464614
1-{2-[6-(3,3-Difluoroazetidin-1-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-imidazole-4-carbonitrile
CID 57925067
1-{6-[4-(1H-Imidazol-1-yl)-5-oxo-2,5-dihydro-1H-pyrazol-1-yl]pyrimidin-4-yl}azetidine-3-carboxylic acid
CID 57925071
4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
CID 59603639
4-(1H-Imidazol-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 59603655
2-[6-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464868
2-[6-(3,3-Difluoroazetidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44465127
2-[6-(3,3-Difluoroazetidin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44465128
2-[6-(dimethylamino)pyrimidin-4-yl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603562
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603621
4-(1H-Imidazol-1-yl)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1,2-dihydro-3H-pyrazol-3-one trifluoroacetate
CID 67455675

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one (CID 59603543) is 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one is O=c1c(-n2ccnc2)c[nH]n1-c1cc(N2CC(O)C2)ncn1.
What is the InChIKey of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The InChIKey is DYSIETSQGCIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c21-9-5-19(6-9)11-3-12(16-7-15-11)20-13(22)10(4-17-20)18-2-1-14-8-18/h1-4,7-9,17,21H,5-6H2.
What are the key properties of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one?
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one has a molecular weight of 299.29 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59603543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).