4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

C75H120N28O — CID 159314100

IUPAC4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCn2cc[n+](CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H26N5.C14H19N6O.C14H19N6.C14H24N5.C13H17N6.5CH3/c1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;15-13-12-3-1-2-5-20(12)17-14(13)16-4-6-18-7-8-19(11-18)9-10-21;1-18-9-10-19(11-18)7-4-6-16-14-13(15)12-5-2-3-8-20(12)17-14;1-19(2,3)11-7-5-9-16-14-13(15)12-8-4-6-10-18(12)17-14;1-17-8-9-18(10-17)7-5-15-13-12(14)11-4-2-3-6-19(11)16-13;;;;;/h5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);1-3,5,7-8,11,21H,4,6,9-10,15H2,(H,16,17);2-3,5,8-11H,4,6-7,15H2,1H3,(H,16,17);4,6,8,10H,5,7,9,11,15H2,1-3H3,(H,16,17);2-4,6,8-10H,5,7,14H2,1H3,(H,15,16);5*1H3/q5*+1;5*-1
InChIKeyLCXMZSLGSILMKT-UHFFFAOYSA-N
MW1429.98 g/mol
LogP8.08
Rot. Bonds28

About 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine

4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 159314100) has the molecular formula C75H120N28O and a molecular weight of 1429.98 g/mol. Its IUPAC name is 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID159314100
Molecular FormulaC75H120N28O
Molecular Weight1429.98 g/mol
Exact Mass1429.02
IUPAC Name4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESC[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCn2cc[n+](CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H26N5.C14H19N6O.C14H19N6.C14H24N5.C13H17N6.5CH3/c1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;15-13-12-3-1-2-5-20(12)17-14(13)16-4-6-18-7-8-19(11-18)9-10-21;1-18-9-10-19(11-18)7-4-6-16-14-13(15)12-5-2-3-8-20(12)17-14;1-19(2,3)11-7-5-9-16-14-13(15)12-8-4-6-10-18(12)17-14;1-17-8-9-18(10-17)7-5-15-13-12(14)11-4-2-3-6-19(11)16-13;;;;;/h5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);1-3,5,7-8,11,21H,4,6,9-10,15H2,(H,16,17);2-3,5,8-11H,4,6-7,15H2,1H3,(H,16,17);4,6,8,10H,5,7,9,11,15H2,1-3H3,(H,16,17);2-4,6,8-10H,5,7,14H2,1H3,(H,15,16);5*1H3/q5*+1;5*-1
InChIKeyLCXMZSLGSILMKT-UHFFFAOYSA-N
XLogP8.08
TPSA323.41 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001429.98
LogP ≤ 58.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine with MolForge

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Related Compounds

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US10336761, Example 259
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US9266891, III-38
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US9266891, III-41
CID 76070734
US9266891, III-22
CID 76072256
US9266891, III-24
CID 76072257
US9266891, III-27
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US9266891, III-29
CID 76072370
US9266891, III-30
CID 76072371
US10336761, Example 231
CID 126484416
2-[[6-[[6-(5-Amino-3-methylpyrazol-1-yl)-3-pyridinyl]methylamino]-9-ethylpurin-2-yl]amino]ethanol
CID 176264413

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine (CID 159314100) is 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is C[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCn2cc[n+](CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is LCXMZSLGSILMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N5.C14H19N6O.C14H19N6.C14H24N5.C13H17N6.5CH3/c1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;15-13-12-3-1-2-5-20(12)17-14(13)16-4-6-18-7-8-19(11-18)9-10-21;1-18-9-10-19(11-18)7-4-6-16-14-13(15)12-5-2-3-8-20(12)17-14;1-19(2,3)11-7-5-9-16-14-13(15)12-8-4-6-10-18(12)17-14;1-17-8-9-18(10-17)7-5-15-13-12(14)11-4-2-3-6-19(11)16-13;;;;;/h5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);1-3,5,7-8,11,21H,4,6,9-10,15H2,(H,16,17);2-3,5,8-11H,4,6-7,15H2,1H3,(H,16,17);4,6,8,10H,5,7,9,11,15H2,1-3H3,(H,16,17);2-4,6,8-10H,5,7,14H2,1H3,(H,15,16);5*1H3/q5*+1;5*-1.
What are the key properties of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine?
4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 1429.98 g/mol, XLogP of 8.08, 28 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;2-[3-[2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl]imidazol-1-ium-1-yl]ethanol;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;carbanide;2-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 159314100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).