3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

C₃₁H₃₇N₁₁O₄ — CID 121421011

About 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (PubChem CID 121421011) has the molecular formula C₃₁H₃₇N₁₁O₄ and a molecular weight of 627.71 g/mol. Its IUPAC name is 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

Molecular Properties

• Compound Name: 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
• PubChem CID: 121421011
• Molecular Formula: C₃₁H₃₇N₁₁O₄
• Molecular Weight: 627.71 g/mol
• Exact Mass: 627.30
• IUPAC Name: 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
• SMILES: [H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCOCC2)nn2ccccc12
• InChI: InChI=1S/C31H37N11O4/c32-22-21-23(33)29(35-27-25-6-2-4-8-42(25)38-31(27)46-20-14-40-11-17-44-18-12-40)36-28(22)34-26-24-5-1-3-7-41(24)37-30(26)45-19-13-39-9-15-43-16-10-39/h1-8,21,32H,9-20,33H2,(H,34,35,36)/b32-22+
• InChIKey: MUFBJKKQKMZABV-WEMUVCOSSA-N
• XLogP: 1.82
• TPSA: 164.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.71
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?

The IUPAC name of 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (CID 121421011) is 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

What is the SMILES notation for 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?

The canonical SMILES for 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCOCC2)nn2ccccc12.

What is the InChIKey of 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?

The InChIKey is MUFBJKKQKMZABV-WEMUVCOSSA-N. The full InChI is InChI=1S/C31H37N11O4/c32-22-21-23(33)29(35-27-25-6-2-4-8-42(25)38-31(27)46-20-14-40-11-17-44-18-12-40)36-28(22)34-26-24-5-1-3-7-41(24)37-30(26)45-19-13-39-9-15-43-16-10-39/h1-8,21,32H,9-20,33H2,(H,34,35,36)/b32-22+.

What are the key properties of 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?

3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine has a molecular weight of 627.71 g/mol, XLogP of 1.82, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imino-2-N-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is sourced from PubChem (CID 121421011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121421011 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.