2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol

C15H21N6O+ — CID 22723427

IUPAC2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol
SMILESNc1cnn2ccc(NCCC[n+]3ccn(CCO)c3)cc12
InChIInChI=1S/C15H21N6O/c16-14-11-18-21-5-2-13(10-15(14)21)17-3-1-4-19-6-7-20(12-19)8-9-22/h2,5-7,10-12,17,22H,1,3-4,8-9,16H2/q+1
InChIKeyHOFOEQMDBCFMDY-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.50
Rot. Bonds7

About 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol

2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol (PubChem CID 22723427) has the molecular formula C15H21N6O+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol
PubChem CID22723427
Molecular FormulaC15H21N6O+
Molecular Weight301.37 g/mol
Exact Mass301.18
IUPAC Name2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol
SMILESNc1cnn2ccc(NCCC[n+]3ccn(CCO)c3)cc12
InChIInChI=1S/C15H21N6O/c16-14-11-18-21-5-2-13(10-15(14)21)17-3-1-4-19-6-7-20(12-19)8-9-22/h2,5-7,10-12,17,22H,1,3-4,8-9,16H2/q+1
InChIKeyHOFOEQMDBCFMDY-UHFFFAOYSA-N
XLogP0.50
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol with MolForge

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Related Compounds

2-[3-[3-(2-aminoanilino)propyl]imidazol-3-ium-1-yl]ethanol
CID 87787836
2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol
CID 22723429
5-iodopyrazolo[1,5-a]pyridin-3-amine
CID 130048259
4-[3-[3-[3-(2,4-diaminophenoxy)propyl]imidazol-3-ium-1-yl]propoxy]benzene-1,3-diamine chloride
CID 87949445
2-N,4-N-bis[4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]phenyl]benzene-1,2,4,5-tetramine
CID 135141333
4-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,4-diamine chloride
CID 87840261
2-[4-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)anilino]ethanol
CID 71242933
1,3-bis[3-(3-methylimidazol-3-ium-1-yl)propyl]imidazol-1-ium
CID 132509484
3-[3-[[6-[[3-(3-hydroxypropyl)imidazol-1-ium-1-yl]methyl]-2-pyridinyl]methyl]imidazol-3-ium-1-yl]propan-1-ol
CID 11420981
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
1-[3-(3-heptylimidazol-1-ium-1-yl)propylamino]butan-2-ol
CID 126732943
1-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2,4-triamine
CID 90022369

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol?
The IUPAC name of 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol (CID 22723427) is 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol.
What is the SMILES notation for 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol?
The canonical SMILES for 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol is Nc1cnn2ccc(NCCC[n+]3ccn(CCO)c3)cc12.
What is the InChIKey of 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol?
The InChIKey is HOFOEQMDBCFMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N6O/c16-14-11-18-21-5-2-13(10-15(14)21)17-3-1-4-19-6-7-20(12-19)8-9-22/h2,5-7,10-12,17,22H,1,3-4,8-9,16H2/q+1.
What are the key properties of 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol?
2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol has a molecular weight of 301.37 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-5-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol is sourced from PubChem (CID 22723427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).