3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane

C105H140ClN32O5+5 — CID 159324120

About 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane

3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane (PubChem CID 159324120) has the molecular formula C105H140ClN32O5+5 and a molecular weight of 1965.95 g/mol. Its IUPAC name is 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane.

Molecular Properties

• Compound Name: 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane
• PubChem CID: 159324120
• Molecular Formula: C105H140ClN32O5+5
• Molecular Weight: 1965.95 g/mol
• Exact Mass: 1964.13
• IUPAC Name: 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane
• SMILES: C.C.C.C.C.CC1=C/C(=N\c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C(N)=C(Cl)C1=O.CC1=C/C(=N\c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C(N)=CC1=O.C[N+](C)(C)CCNc1nn2ccccc2c1/N=C1\C=CC(N)=CC1=O.C[n+]1ccn(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)c1
• InChI: InChI=1S/C22H27ClN6O.C22H28N6O.2C19H19N7O.C18H22N6O.5CH4/c1-15-14-16(19(24)18(23)21(15)30)26-20-17-8-4-5-10-28(17)27-22(20)25-9-13-29(2)11-6-3-7-12-29;1-16-14-18(17(23)15-20(16)29)25-21-19-8-4-5-10-27(19)26-22(21)24-9-13-28(2)11-6-3-7-12-28;1-24-10-11-25(13-24)9-7-21-19-18(17-4-2-3-8-26(17)23-19)22-16-6-5-14(27)12-15(16)20;1-24-10-11-25(13-24)9-7-21-19-18(16-4-2-3-8-26(16)23-19)22-15-6-5-14(20)12-17(15)27;1-24(2,3)11-9-20-18-17(15-6-4-5-10-23(15)22-18)21-14-8-7-13(19)12-16(14)25;;;;;/h4-5,8,10,14H,3,6-7,9,11-13H2,1-2H3,(H2-,24,25,27,30);4-5,8,10,14-15H,3,6-7,9,11-13H2,1-2H3,(H2-,23,24,26,29);2*2-6,8,10-13H,7,9H2,1H3,(H2-,20,21,23,27);4-8,10,12H,9,11H2,1-3H3,(H2-,19,20,22,25);5*1H4/p+5/b26-16+;25-18+;22-16+;22-15+;21-14+
• InChIKey: LEDHVTPIGHIYEX-UDFCQNCESA-S
• XLogP: 13.15
• TPSA: 441.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.95
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane?

The IUPAC name of 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane (CID 159324120) is 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane.

What is the SMILES notation for 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane?

The canonical SMILES for 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane is C.C.C.C.C.CC1=C/C(=N\c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C(N)=C(Cl)C1=O.CC1=C/C(=N\c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C(N)=CC1=O.C[N+](C)(C)CCNc1nn2ccccc2c1/N=C1\C=CC(N)=CC1=O.C[n+]1ccn(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)c1.C[n+]1ccn(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)c1.

What is the InChIKey of 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane?

The InChIKey is LEDHVTPIGHIYEX-UDFCQNCESA-S. The full InChI is InChI=1S/C22H27ClN6O.C22H28N6O.2C19H19N7O.C18H22N6O.5CH4/c1-15-14-16(19(24)18(23)21(15)30)26-20-17-8-4-5-10-28(17)27-22(20)25-9-13-29(2)11-6-3-7-12-29;1-16-14-18(17(23)15-20(16)29)25-21-19-8-4-5-10-27(19)26-22(21)24-9-13-28(2)11-6-3-7-12-28;1-24-10-11-25(13-24)9-7-21-19-18(17-4-2-3-8-26(17)23-19)22-16-6-5-14(27)12-15(16)20;1-24-10-11-25(13-24)9-7-21-19-18(16-4-2-3-8-26(16)23-19)22-15-6-5-14(20)12-17(15)27;1-24(2,3)11-9-20-18-17(15-6-4-5-10-23(15)22-18)21-14-8-7-13(19)12-16(14)25;;;;;/h4-5,8,10,14H,3,6-7,9,11-13H2,1-2H3,(H2-,24,25,27,30);4-5,8,10,14-15H,3,6-7,9,11-13H2,1-2H3,(H2-,23,24,26,29);2*2-6,8,10-13H,7,9H2,1H3,(H2-,20,21,23,27);4-8,10,12H,9,11H2,1-3H3,(H2-,19,20,22,25);5*1H4/p+5/b26-16+;25-18+;22-16+;22-15+;21-14+;;;;;.

What are the key properties of 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane?

3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane has a molecular weight of 1965.95 g/mol, XLogP of 13.15, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane is sourced from PubChem (CID 159324120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).