[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine

C91H155N31O6S — CID 158041383

About [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine

[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine (PubChem CID 158041383) has the molecular formula C91H155N31O6S and a molecular weight of 1811.52 g/mol. Its IUPAC name is [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine.

Molecular Properties

• Compound Name: [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine
• PubChem CID: 158041383
• Molecular Formula: C91H155N31O6S
• Molecular Weight: 1811.52 g/mol
• Exact Mass: 1810.25
• IUPAC Name: [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine
• SMILES: CN(C)c1cccn2nc(N3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(OCCN3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(OCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(OCCn3cc[n+](C)c3)c(N)c12.COc1nn2cccc([N+](C)(C)C)c2c1N.C[N+](C)(C)c1cccn2nc(S(C)(=O)=O)c(N)c12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C18H31N6O.C16H27N6.C15H21N6O.C14H24N5O.C11H17N4O2S.C11H17N4O.6CH3/c1-21(2)15-7-6-9-23-17(15)16(19)18(20-23)25-12-11-22-10-8-14(13-22)24(3,4)5;1-19(2)13-7-6-9-21-15(13)14(17)16(18-21)20-10-8-12(11-20)22(3,4)5;1-18(2)12-5-4-6-21-14(12)13(16)15(17-21)22-10-9-20-8-7-19(3)11-20;1-17(2)11-7-6-8-18-13(11)12(15)14(16-18)20-10-9-19(3,4)5;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)18(4,16)17;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)16-4;;;;;;/h6-7,9,14H,8,10-13,19H2,1-5H3;6-7,9,12H,8,10-11,17H2,1-5H3;4-8,11H,9-10,16H2,1-3H3;6-8H,9-10,15H2,1-5H3;5-7H,12H2,1-4H3;5-7H,12H2,1-4H3;6*1H3/q6*+1;6*-1
• InChIKey: FIJXFZJGKNIEON-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 359.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.52
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine?

The IUPAC name of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine (CID 158041383) is [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine.

What is the SMILES notation for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine?

The canonical SMILES for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine is CN(C)c1cccn2nc(N3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(OCCN3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(OCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(OCCn3cc[n+](C)c3)c(N)c12.COc1nn2cccc([N+](C)(C)C)c2c1N.C[N+](C)(C)c1cccn2nc(S(C)(=O)=O)c(N)c12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine?

The InChIKey is FIJXFZJGKNIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N6O.C16H27N6.C15H21N6O.C14H24N5O.C11H17N4O2S.C11H17N4O.6CH3/c1-21(2)15-7-6-9-23-17(15)16(19)18(20-23)25-12-11-22-10-8-14(13-22)24(3,4)5;1-19(2)13-7-6-9-21-15(13)14(17)16(18-21)20-10-8-12(11-20)22(3,4)5;1-18(2)12-5-4-6-21-14(12)13(16)15(17-21)22-10-9-20-8-7-19(3)11-20;1-17(2)11-7-6-8-18-13(11)12(15)14(16-18)20-10-9-19(3,4)5;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)18(4,16)17;1-15(2,3)8-6-5-7-14-10(8)9(12)11(13-14)16-4;;;;;;/h6-7,9,14H,8,10-13,19H2,1-5H3;6-7,9,12H,8,10-11,17H2,1-5H3;4-8,11H,9-10,16H2,1-3H3;6-8H,9-10,15H2,1-5H3;5-7H,12H2,1-4H3;5-7H,12H2,1-4H3;6*1H3/q6*+1;6*-1.

What are the key properties of [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine?

[1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine has a molecular weight of 1811.52 g/mol, XLogP of 8.50, 23 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;(3-amino-2-methoxypyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;(3-amino-2-methylsulfonylpyrazolo[1,5-a]pyridin-4-yl)-trimethylazanium;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine is sourced from PubChem (CID 158041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).