2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride

C13H16ClN7O2 — CID 174586054

IUPAC2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCl.OC1CN(c2cc(N3NC=C(n4ccnc4)C3O)ncn2)C1
InChIInChI=1S/C13H15N7O2.ClH/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;/h1-4,7-9,13,17,21-22H,5-6H2;1H
InChIKeyRDOZOUBZVZXPBI-UHFFFAOYSA-N
MW337.77 g/mol
LogP-0.58
Rot. Bonds3

About 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride

2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride (PubChem CID 174586054) has the molecular formula C13H16ClN7O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride.

Molecular Properties

Compound Name2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride
PubChem CID174586054
Molecular FormulaC13H16ClN7O2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCl.OC1CN(c2cc(N3NC=C(n4ccnc4)C3O)ncn2)C1
InChIInChI=1S/C13H15N7O2.ClH/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;/h1-4,7-9,13,17,21-22H,5-6H2;1H
InChIKeyRDOZOUBZVZXPBI-UHFFFAOYSA-N
XLogP-0.58
TPSA102.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride 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

2-(6-piperidin-1-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazol-3-ol
CID 174586062
4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
CID 138053450
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 139013403
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
CID 146106492
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
2-[6-(3-methylazetidin-1-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde
CID 175272958

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The IUPAC name of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride (CID 174586054) is 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride.
What is the SMILES notation for 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The canonical SMILES for 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride is Cl.OC1CN(c2cc(N3NC=C(n4ccnc4)C3O)ncn2)C1.
What is the InChIKey of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The InChIKey is RDOZOUBZVZXPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2.ClH/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;/h1-4,7-9,13,17,21-22H,5-6H2;1H.
What are the key properties of 2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride has a molecular weight of 337.77 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 9 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-1,3-dihydropyrazol-3-ol;hydrochloride is sourced from PubChem (CID 174586054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).