(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide

C15H25IN8O — CID 111549711

IUPAC(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNc1ncnc2c1cnn2C)N1CC[C@@H](O)C1.I
InChIInChI=1S/C15H24N8O.HI/c1-3-16-15(23-7-4-11(24)9-23)18-6-5-17-13-12-8-21-22(2)14(12)20-10-19-13;/h8,10-11,24H,3-7,9H2,1-2H3,(H,16,18)(H,17,19,20);1H/t11-;/m1./s1
InChIKeyAWOCTXRNNPZVFU-RFVHGSKJSA-N
MW460.32 g/mol
LogP0.43
Rot. Bonds5

About (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide

(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111549711) has the molecular formula C15H25IN8O and a molecular weight of 460.32 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111549711
Molecular FormulaC15H25IN8O
Molecular Weight460.32 g/mol
Exact Mass460.12
IUPAC Name(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNc1ncnc2c1cnn2C)N1CC[C@@H](O)C1.I
InChIInChI=1S/C15H24N8O.HI/c1-3-16-15(23-7-4-11(24)9-23)18-6-5-17-13-12-8-21-22(2)14(12)20-10-19-13;/h8,10-11,24H,3-7,9H2,1-2H3,(H,16,18)(H,17,19,20);1H/t11-;/m1./s1
InChIKeyAWOCTXRNNPZVFU-RFVHGSKJSA-N
XLogP0.43
TPSA103.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide 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

N-ethyl-4-methyl-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211376
N-ethyl-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111744073
4-benzyl-N-ethyl-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152553
N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboximidamide
CID 166282825
(3R)-N-ethyl-3-hydroxy-N'-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549793
1-benzyl-3-ethyl-1-methyl-2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide
CID 110951751
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111325154
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111371093
1-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-propylguanidine;hydroiodide
CID 111101792
3-ethyl-1-[(4-fluorophenyl)methyl]-1-methyl-2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide
CID 111307493
(3R)-N-ethyl-3-hydroxy-N'-(2-imidazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111550250
(3R)-N'-(3,3-dimethylbutyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111549912

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111549711) is (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCNc1ncnc2c1cnn2C)N1CC[C@@H](O)C1.I.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is AWOCTXRNNPZVFU-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H24N8O.HI/c1-3-16-15(23-7-4-11(24)9-23)18-6-5-17-13-12-8-21-22(2)14(12)20-10-19-13;/h8,10-11,24H,3-7,9H2,1-2H3,(H,16,18)(H,17,19,20);1H/t11-;/m1./s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
(3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 460.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111549711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).