5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one

C109H105ClN38O9 — CID 157157855

About 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one

5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one (PubChem CID 157157855) has the molecular formula C109H105ClN38O9 and a molecular weight of 2126.75 g/mol. Its IUPAC name is 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

• Compound Name: 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one
• PubChem CID: 157157855
• Molecular Formula: C109H105ClN38O9
• Molecular Weight: 2126.75 g/mol
• Exact Mass: 2124.86
• IUPAC Name: 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one
• SMILES: CC1=C(O)/C(=N/c2c(NCCn3ccnc3)nn3ccccc23)C=CC1=O.CC1=C/C(=N\c2c(NCCN(C)C)nn3ccccc23)C(N)=CC1=O.NC1=CC(=O)/C(=N/c2c(NCCn3ccnc3)nn3ccccc23)C=C1.NC1=CC(=O)C=C/C1=N\c1c(NCCn2ccnc2)nn2ccccc12.O=C1C=C(O)C(Cl)=C/C1=N\c1c(NCCn2ccnc2)nn2ccccc12.O=C1C=C/C(=N\c2c(NCCn3ccnc3)nn3ccccc23)C(O)=C1
• InChI: InChI=1S/C19H18N6O2.C18H15ClN6O2.2C18H17N7O.C18H16N6O2.C18H22N6O/c1-13-16(26)6-5-14(18(13)27)22-17-15-4-2-3-9-25(15)23-19(17)21-8-11-24-10-7-20-12-24;19-12-9-13(16(27)10-15(12)26)22-17-14-3-1-2-6-25(14)23-18(17)21-5-8-24-7-4-20-11-24;19-14-11-13(26)4-5-15(14)22-17-16-3-1-2-8-25(16)23-18(17)21-7-10-24-9-6-20-12-24;19-13-4-5-14(16(26)11-13)22-17-15-3-1-2-8-25(15)23-18(17)21-7-10-24-9-6-20-12-24;25-13-4-5-14(16(26)11-13)21-17-15-3-1-2-8-24(15)22-18(17)20-7-10-23-9-6-19-12-23;1-12-10-14(13(19)11-16(12)25)21-17-15-6-4-5-8-24(15)22-18(17)20-7-9-23(2)3/h2-7,9-10,12,27H,8,11H2,1H3,(H,21,23);1-4,6-7,9-11,26H,5,8H2,(H,21,23);2*1-6,8-9,11-12H,7,10,19H2,(H,21,23);1-6,8-9,11-12,26H,7,10H2,(H,20,22);4-6,8,10-11H,7,9,19H2,1-3H3,(H,20,22)/b22-14+;22-13+;22-15+;22-14+;2*21-14+
• InChIKey: HZEREYGMYLNILH-IGWIKIFLSA-N
• XLogP: 12.99
• TPSA: 583.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.75
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

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 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one?

The IUPAC name of 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one (CID 157157855) is 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one.

What is the SMILES notation for 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one?

The canonical SMILES for 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one is CC1=C(O)/C(=N/c2c(NCCn3ccnc3)nn3ccccc23)C=CC1=O.CC1=C/C(=N\c2c(NCCN(C)C)nn3ccccc23)C(N)=CC1=O.NC1=CC(=O)/C(=N/c2c(NCCn3ccnc3)nn3ccccc23)C=C1.NC1=CC(=O)C=C/C1=N\c1c(NCCn2ccnc2)nn2ccccc12.O=C1C=C(O)C(Cl)=C/C1=N\c1c(NCCn2ccnc2)nn2ccccc12.O=C1C=C/C(=N\c2c(NCCn3ccnc3)nn3ccccc23)C(O)=C1.

What is the InChIKey of 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one?

The InChIKey is HZEREYGMYLNILH-IGWIKIFLSA-N. The full InChI is InChI=1S/C19H18N6O2.C18H15ClN6O2.2C18H17N7O.C18H16N6O2.C18H22N6O/c1-13-16(26)6-5-14(18(13)27)22-17-15-4-2-3-9-25(15)23-19(17)21-8-11-24-10-7-20-12-24;19-12-9-13(16(27)10-15(12)26)22-17-14-3-1-2-6-25(14)23-18(17)21-5-8-24-7-4-20-11-24;19-14-11-13(26)4-5-15(14)22-17-16-3-1-2-8-25(16)23-18(17)21-7-10-24-9-6-20-12-24;19-13-4-5-14(16(26)11-13)22-17-15-3-1-2-8-25(15)23-18(17)21-7-10-24-9-6-20-12-24;25-13-4-5-14(16(26)11-13)21-17-15-3-1-2-8-24(15)22-18(17)20-7-10-23-9-6-19-12-23;1-12-10-14(13(19)11-16(12)25)21-17-15-6-4-5-8-24(15)22-18(17)20-7-9-23(2)3/h2-7,9-10,12,27H,8,11H2,1H3,(H,21,23);1-4,6-7,9-11,26H,5,8H2,(H,21,23);2*1-6,8-9,11-12H,7,10,19H2,(H,21,23);1-6,8-9,11-12,26H,7,10H2,(H,20,22);4-6,8,10-11H,7,9,19H2,1-3H3,(H,20,22)/b22-14+;22-13+;22-15+;22-14+;2*21-14+.

What are the key properties of 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one?

5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one has a molecular weight of 2126.75 g/mol, XLogP of 12.99, 30 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-[2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one;3-amino-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 157157855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).