2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride

C15H24ClN7O — CID 173205422

IUPAC2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride
SMILESCc1cc(NCCCN2C=CN(CCO)C2)n2ncc(N)c2n1.Cl
InChIInChI=1S/C15H23N7O.ClH/c1-12-9-14(22-15(19-12)13(16)10-18-22)17-3-2-4-20-5-6-21(11-20)7-8-23;/h5-6,9-10,17,23H,2-4,7-8,11,16H2,1H3;1H
InChIKeyDUNYPHJOGPLSSS-UHFFFAOYSA-N
MW353.86 g/mol
LogP0.88
Rot. Bonds7

About 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride

2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride (PubChem CID 173205422) has the molecular formula C15H24ClN7O and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride
PubChem CID173205422
Molecular FormulaC15H24ClN7O
Molecular Weight353.86 g/mol
Exact Mass353.17
IUPAC Name2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride
SMILESCc1cc(NCCCN2C=CN(CCO)C2)n2ncc(N)c2n1.Cl
InChIInChI=1S/C15H23N7O.ClH/c1-12-9-14(22-15(19-12)13(16)10-18-22)17-3-2-4-20-5-6-21(11-20)7-8-23;/h5-6,9-10,17,23H,2-4,7-8,11,16H2,1H3;1H
InChIKeyDUNYPHJOGPLSSS-UHFFFAOYSA-N
XLogP0.88
TPSA94.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride (CID 173205422) is 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride is Cc1cc(NCCCN2C=CN(CCO)C2)n2ncc(N)c2n1.Cl.
What is the InChIKey of 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride?
The InChIKey is DUNYPHJOGPLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O.ClH/c1-12-9-14(22-15(19-12)13(16)10-18-22)17-3-2-4-20-5-6-21(11-20)7-8-23;/h5-6,9-10,17,23H,2-4,7-8,11,16H2,1H3;1H.
What are the key properties of 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride?
2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride has a molecular weight of 353.86 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(3-amino-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]-2H-imidazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 173205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).