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

C97H169N35O3 — CID 157089533

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

2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine (PubChem CID 157089533) has the molecular formula C97H169N35O3 and a molecular weight of 1873.66 g/mol. Its IUPAC name is 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine.

Molecular Properties

• Compound Name: 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine
• PubChem CID: 157089533
• Molecular Formula: C97H169N35O3
• Molecular Weight: 1873.66 g/mol
• Exact Mass: 1872.41
• IUPAC Name: 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine
• SMILES: CN(C)c1cccn2nc(N3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(N3CC[NH+](C)CC3)c(N)c12.CN(C)c1cccn2nc(NCC[N+](C)(C)C)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.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C18H31N6O.C16H27N6.C15H21N6O.C14H22N6.C14H25N6.C14H24N5O.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)11-5-4-6-20-13(11)12(15)14(16-20)19-9-7-18(3)8-10-19;1-18(2)11-7-6-9-19-13(11)12(15)14(17-19)16-8-10-20(3,4)5;1-17(2)11-7-6-8-18-13(11)12(15)14(16-18)20-10-9-19(3,4)5;;;;;;/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;4-6H,7-10,15H2,1-3H3;6-7,9H,8,10,15H2,1-5H3,(H,16,17);6-8H,9-10,15H2,1-5H3;6*1H3/q3*+1;;2*+1;6*-1/p+1
• InChIKey: AEMQGFNGNCVTMV-UHFFFAOYSA-O
• XLogP: 7.28
• TPSA: 342.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.66
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine?

The IUPAC name of 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine (CID 157089533) is 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine.

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

The canonical SMILES for 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine is CN(C)c1cccn2nc(N3CCC([N+](C)(C)C)C3)c(N)c12.CN(C)c1cccn2nc(N3CC[NH+](C)CC3)c(N)c12.CN(C)c1cccn2nc(NCC[N+](C)(C)C)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.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

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

The InChIKey is AEMQGFNGNCVTMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N6O.C16H27N6.C15H21N6O.C14H22N6.C14H25N6.C14H24N5O.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)11-5-4-6-20-13(11)12(15)14(16-20)19-9-7-18(3)8-10-19;1-18(2)11-7-6-9-19-13(11)12(15)14(17-19)16-8-10-20(3,4)5;1-17(2)11-7-6-8-18-13(11)12(15)14(16-18)20-10-9-19(3,4)5;;;;;;/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;4-6H,7-10,15H2,1-3H3;6-7,9H,8,10,15H2,1-5H3,(H,16,17);6-8H,9-10,15H2,1-5H3;6*1H3/q3*+1;;2*+1;6*-1/p+1.

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

2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine has a molecular weight of 1873.66 g/mol, XLogP of 7.28, 26 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;[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;carbanide;4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine;4-N,4-N-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyridine-3,4-diamine is sourced from PubChem (CID 157089533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).