3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine

C₃₃H₄₃N₁₃O₂ — CID 121421007

About 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine

3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 121421007) has the molecular formula C₃₃H₄₃N₁₃O₂ and a molecular weight of 653.80 g/mol. Its IUPAC name is 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
• PubChem CID: 121421007
• Molecular Formula: C₃₃H₄₃N₁₃O₂
• Molecular Weight: 653.80 g/mol
• Exact Mass: 653.37
• IUPAC Name: 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
• SMILES: [H]/N=C1\C=C(N)/C(=N/c2c(NCCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(NCCCN2CCOCC2)nn2ccccc12
• InChI: InChI=1S/C33H43N13O2/c34-24-23-25(35)31(39-29-27-8-2-4-14-46(27)42-33(29)37-10-6-12-44-17-21-48-22-18-44)40-30(24)38-28-26-7-1-3-13-45(26)41-32(28)36-9-5-11-43-15-19-47-20-16-43/h1-4,7-8,13-14,23,34H,5-6,9-12,15-22,35H2,(H,36,41)(H,37,42)(H,38,39,40)/b34-24+
• InChIKey: GDCSIZSMOPOIEF-JGRMKTMXSA-N
• XLogP: 2.67
• TPSA: 170.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.80
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?

The IUPAC name of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine (CID 121421007) is 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine.

What is the SMILES notation for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?

The canonical SMILES for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(NCCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(NCCCN2CCOCC2)nn2ccccc12.

What is the InChIKey of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?

The InChIKey is GDCSIZSMOPOIEF-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H43N13O2/c34-24-23-25(35)31(39-29-27-8-2-4-14-46(27)42-33(29)37-10-6-12-44-17-21-48-22-18-44)40-30(24)38-28-26-7-1-3-13-45(26)41-32(28)36-9-5-11-43-15-19-47-20-16-43/h1-4,7-8,13-14,23,34H,5-6,9-12,15-22,35H2,(H,36,41)(H,37,42)(H,38,39,40)/b34-24+.

What are the key properties of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?

3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 653.80 g/mol, XLogP of 2.67, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 121421007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121421007 — identifiers, structure, computed properties (public domain)

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