4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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

C76H123N28O+ — CID 158989658

IUPAC4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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.C[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCC[n+]2ccn(CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H21N6O.C15H26N5.C14H19N6.C14H24N5.C13H17N6.CH4.4CH3/c16-14-13-4-1-2-7-21(13)18-15(14)17-5-3-6-19-8-9-20(12-19)10-11-22;1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;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;;;;;/h1-2,4,7-9,12,22H,3,5-6,10-11,16H2,(H,17,18);5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);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);1H4;4*1H3/q5*+1;;4*-1
InChIKeyJPZRPULCSUEBBW-UHFFFAOYSA-N
MW1445.01 g/mol
LogP8.66
Rot. Bonds29

About 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 158989658) has the molecular formula C76H123N28O+ and a molecular weight of 1445.01 g/mol. Its IUPAC name is 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 CID158989658
Molecular FormulaC76H123N28O+
Molecular Weight1445.01 g/mol
Exact Mass1444.04
IUPAC Name4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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.C[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCC[n+]2ccn(CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H21N6O.C15H26N5.C14H19N6.C14H24N5.C13H17N6.CH4.4CH3/c16-14-13-4-1-2-7-21(13)18-15(14)17-5-3-6-19-8-9-20(12-19)10-11-22;1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;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;;;;;/h1-2,4,7-9,12,22H,3,5-6,10-11,16H2,(H,17,18);5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);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);1H4;4*1H3/q5*+1;;4*-1
InChIKeyJPZRPULCSUEBBW-UHFFFAOYSA-N
XLogP8.66
TPSA323.41 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001445.01
LogP ≤ 58.66
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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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-22
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US9266891, III-24
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US9266891, III-27
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US9266891, III-29
CID 76072370
US9266891, III-30
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2-[[6-[[6-(5-Amino-3-methylpyrazol-1-yl)-3-pyridinyl]methylamino]-9-ethylpurin-2-yl]amino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 158989658) is 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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.C[N+](C)(C)CCCCCNc1nn2ccccc2c1N.C[N+](C)(C)CCCCNc1nn2ccccc2c1N.C[n+]1ccn(CCCNc2nn3ccccc3c2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2N)c1.Nc1c(NCCC[n+]2ccn(CCO)c2)nn2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 JPZRPULCSUEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N6O.C15H26N5.C14H19N6.C14H24N5.C13H17N6.CH4.4CH3/c16-14-13-4-1-2-7-21(13)18-15(14)17-5-3-6-19-8-9-20(12-19)10-11-22;1-20(2,3)12-8-4-6-10-17-15-14(16)13-9-5-7-11-19(13)18-15;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;;;;;/h1-2,4,7-9,12,22H,3,5-6,10-11,16H2,(H,17,18);5,7,9,11H,4,6,8,10,12,16H2,1-3H3,(H,17,18);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);1H4;4*1H3/q5*+1;;4*-1.
What are the key properties of 4-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]butyl-trimethylazanium;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 1445.01 g/mol, XLogP of 8.66, 29 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;5-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]pentyl-trimethylazanium;2-[3-[3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl]imidazol-3-ium-1-yl]ethanol;carbanide;methane;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 158989658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).