2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane

C96H167N35O+6 — CID 157230672

About 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane

2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane (PubChem CID 157230672) has the molecular formula C96H167N35O+6 and a molecular weight of 1827.64 g/mol. Its IUPAC name is 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane.

Molecular Properties

• Compound Name: 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane
• PubChem CID: 157230672
• Molecular Formula: C96H167N35O+6
• Molecular Weight: 1827.64 g/mol
• Exact Mass: 1826.41
• IUPAC Name: 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane
• SMILES: C.C.C.CC(C)[N+](C)(CCNc1nn2c3c(ccc2c1N)CCC3)C(C)C.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(NCCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(NCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(OCCn3cc[n+](C)c3)c(N)c12
• InChI: InChI=1S/C19H32N5.C16H27N6.C15H21N6O.C15H27N6.C14H22N6.C14H25N6.3CH4/c1-13(2)24(5,14(3)4)12-11-21-19-18(20)17-10-9-15-7-6-8-16(15)23(17)22-19;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;1-19(2)12-8-6-10-20-14(12)13(16)15(18-20)17-9-7-11-21(3,4)5;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;;;/h9-10,13-14H,6-8,11-12,20H2,1-5H3,(H,21,22);6-7,9,12H,8,10-11,17H2,1-5H3;4-8,11H,9-10,16H2,1-3H3;6,8,10H,7,9,11,16H2,1-5H3,(H,17,18);4-6H,7-10,15H2,1-3H3;6-7,9H,8,10,15H2,1-5H3,(H,16,17);3*1H4/q4*+1;;+1;;;/p+1
• InChIKey: AUBHGVHDNPOUOB-UHFFFAOYSA-O
• XLogP: 8.85
• TPSA: 341.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1827.64
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane?

The IUPAC name of 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane (CID 157230672) is 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane.

What is the SMILES notation for 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane?

The canonical SMILES for 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane is C.C.C.CC(C)[N+](C)(CCNc1nn2c3c(ccc2c1N)CCC3)C(C)C.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(NCCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(NCC[N+](C)(C)C)c(N)c12.CN(C)c1cccn2nc(OCCn3cc[n+](C)c3)c(N)c12.

What is the InChIKey of 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane?

The InChIKey is AUBHGVHDNPOUOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N5.C16H27N6.C15H21N6O.C15H27N6.C14H22N6.C14H25N6.3CH4/c1-13(2)24(5,14(3)4)12-11-21-19-18(20)17-10-9-15-7-6-8-16(15)23(17)22-19;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;1-19(2)12-8-6-10-20-14(12)13(16)15(18-20)17-9-7-11-21(3,4)5;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;;;/h9-10,13-14H,6-8,11-12,20H2,1-5H3,(H,21,22);6-7,9,12H,8,10-11,17H2,1-5H3;4-8,11H,9-10,16H2,1-3H3;6,8,10H,7,9,11,16H2,1-5H3,(H,17,18);4-6H,7-10,15H2,1-3H3;6-7,9H,8,10,15H2,1-5H3,(H,16,17);3*1H4/q4*+1;;+1;;;/p+1.

What are the key properties of 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane?

2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane has a molecular weight of 1827.64 g/mol, XLogP of 8.85, 27 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(10-amino-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;2-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;3-[[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]amino]propyl-trimethylazanium;[1-[3-amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]pyrrolidin-3-yl]-trimethylazanium;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;methane is sourced from PubChem (CID 157230672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).