1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine

C64H76N22O8 — CID 135365143

About 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine

1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine (PubChem CID 135365143) has the molecular formula C64H76N22O8 and a molecular weight of 1281.46 g/mol. Its IUPAC name is 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine.

Molecular Properties

• Compound Name: 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
• PubChem CID: 135365143
• Molecular Formula: C64H76N22O8
• Molecular Weight: 1281.46 g/mol
• Exact Mass: 1280.62
• IUPAC Name: 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
• SMILES: [H]/N=C1\C=C(N)/C(=N\c2c(OCCCN3CCOCC3)nn3ccccc23)N(N2/C(=N/c3c(OCCN4CCOCC4)nn4ccccc34)C(N)=CC(=N\[H])/C2=N\c2c(OCCN3CCOCC3)nn3ccccc23)\C1=N\c1c(OCCCN2CCOCC2)nn2ccccc12
• InChI: InChI=1S/C64H76N22O8/c65-45-43-46(66)58(70-54-50-12-2-6-18-82(50)74-62(54)92-32-10-16-78-23-35-88-36-24-78)85(57(45)69-53-49-11-1-5-17-81(49)73-61(53)91-31-9-15-77-21-33-87-34-22-77)86-59(71-55-51-13-3-7-19-83(51)75-63(55)93-41-29-79-25-37-89-38-26-79)47(67)44-48(68)60(86)72-56-52-14-4-8-20-84(52)76-64(56)94-42-30-80-27-39-90-40-28-80/h1-8,11-14,17-20,43-44,65,67H,9-10,15-16,21-42,66,68H2/b65-45+,67-47+,69-57+,70-58+,71-59+,72-60+
• InChIKey: YVPBPUMETOTBMN-OXJUWELTSA-N
• XLogP: 4.39
• TPSA: 311.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?

The IUPAC name of 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine (CID 135365143) is 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine.

What is the SMILES notation for 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?

The canonical SMILES for 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine is [H]/N=C1\C=C(N)/C(=N\c2c(OCCCN3CCOCC3)nn3ccccc23)N(N2/C(=N/c3c(OCCN4CCOCC4)nn4ccccc34)C(N)=CC(=N\[H])/C2=N\c2c(OCCN3CCOCC3)nn3ccccc23)\C1=N\c1c(OCCCN2CCOCC2)nn2ccccc12.

What is the InChIKey of 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?

The InChIKey is YVPBPUMETOTBMN-OXJUWELTSA-N. The full InChI is InChI=1S/C64H76N22O8/c65-45-43-46(66)58(70-54-50-12-2-6-18-82(50)74-62(54)92-32-10-16-78-23-35-88-36-24-78)85(57(45)69-53-49-11-1-5-17-81(49)73-61(53)91-31-9-15-77-21-33-87-34-22-77)86-59(71-55-51-13-3-7-19-83(51)75-63(55)93-41-29-79-25-37-89-38-26-79)47(67)44-48(68)60(86)72-56-52-14-4-8-20-84(52)76-64(56)94-42-30-80-27-39-90-40-28-80/h1-8,11-14,17-20,43-44,65,67H,9-10,15-16,21-42,66,68H2/b65-45+,67-47+,69-57+,70-58+,71-59+,72-60+.

What are the key properties of 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?

1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine has a molecular weight of 1281.46 g/mol, XLogP of 4.39, 23 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-5-imino-2,6-bis[[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine is sourced from PubChem (CID 135365143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).