3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

C101H123ClN27O8+5 — CID 157317287

About 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (PubChem CID 157317287) has the molecular formula C101H123ClN27O8+5 and a molecular weight of 1878.73 g/mol. Its IUPAC name is 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.

Molecular Properties

• Compound Name: 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
• PubChem CID: 157317287
• Molecular Formula: C101H123ClN27O8+5
• Molecular Weight: 1878.73 g/mol
• Exact Mass: 1876.97
• IUPAC Name: 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
• SMILES: CC1=C(O)/C(=N/c2c(NCC[N+]3(C)CCCC3)nn3ccccc23)C=CC1=O.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=C(Cl)C(O)=CC2=O)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2O)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCC1
• InChI: InChI=1S/C21H25N5O2.C20H22ClN5O2.2C20H24N6O.C20H23N5O2/c1-15-18(27)9-8-16(20(15)28)23-19-17-7-3-4-11-25(17)24-21(19)22-10-14-26(2)12-5-6-13-26;1-26(9-4-5-10-26)11-7-22-20-19(16-6-2-3-8-25(16)24-20)23-15-12-14(21)17(27)13-18(15)28;1-26(11-4-5-12-26)13-9-22-20-19(18-6-2-3-10-25(18)24-20)23-17-8-7-15(27)14-16(17)21;1-26(11-4-5-12-26)13-9-22-20-19(17-6-2-3-10-25(17)24-20)23-16-8-7-15(21)14-18(16)27;1-25(11-4-5-12-25)13-9-21-20-19(17-6-2-3-10-24(17)23-20)22-16-8-7-15(26)14-18(16)27/h3-4,7-9,11H,5-6,10,12-14H2,1-2H3,(H-,22,24,27,28);2-3,6,8,12-13H,4-5,7,9-11H2,1H3,(H-,22,24,27,28);2*2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H2-,21,22,24,27);2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H-,21,23,26,27)/p+5/b23-16+;23-15+;23-17+;23-16+;22-16+
• InChIKey: BDTGTUCHYDGKBO-OVAHCDROSA-S
• XLogP: 12.96
• TPSA: 406.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.73
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The IUPAC name of 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (CID 157317287) is 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.

What is the SMILES notation for 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The canonical SMILES for 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is CC1=C(O)/C(=N/c2c(NCC[N+]3(C)CCCC3)nn3ccccc23)C=CC1=O.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=C(Cl)C(O)=CC2=O)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2O)CCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCC1.

What is the InChIKey of 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

The InChIKey is BDTGTUCHYDGKBO-OVAHCDROSA-S. The full InChI is InChI=1S/C21H25N5O2.C20H22ClN5O2.2C20H24N6O.C20H23N5O2/c1-15-18(27)9-8-16(20(15)28)23-19-17-7-3-4-11-25(17)24-21(19)22-10-14-26(2)12-5-6-13-26;1-26(9-4-5-10-26)11-7-22-20-19(16-6-2-3-8-25(16)24-20)23-15-12-14(21)17(27)13-18(15)28;1-26(11-4-5-12-26)13-9-22-20-19(18-6-2-3-10-25(18)24-20)23-17-8-7-15(27)14-16(17)21;1-26(11-4-5-12-26)13-9-22-20-19(17-6-2-3-10-25(17)24-20)23-16-8-7-15(21)14-18(16)27;1-25(11-4-5-12-25)13-9-21-20-19(17-6-2-3-10-24(17)23-20)22-16-8-7-15(26)14-18(16)27/h3-4,7-9,11H,5-6,10,12-14H2,1-2H3,(H-,22,24,27,28);2-3,6,8,12-13H,4-5,7,9-11H2,1H3,(H-,22,24,27,28);2*2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H2-,21,22,24,27);2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H-,21,23,26,27)/p+5/b23-16+;23-15+;23-17+;23-16+;22-16+.

What are the key properties of 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?

3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one has a molecular weight of 1878.73 g/mol, XLogP of 12.96, 25 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 157317287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).