3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

C97H119N33O6 — CID 160559665

About 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (PubChem CID 160559665) has the molecular formula C97H119N33O6 and a molecular weight of 1843.24 g/mol. Its IUPAC name is 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

Molecular Properties

• Compound Name: 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
• PubChem CID: 160559665
• Molecular Formula: C97H119N33O6
• Molecular Weight: 1843.24 g/mol
• Exact Mass: 1842.00
• IUPAC Name: 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
• SMILES: [H]/N=C1\C=C(N)/C(=N/c2c(OCCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCCN2CCCC2)nn2ccccc12.[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12.[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCCC2)nn2ccccc12
• InChI: InChI=1S/2C33H41N11O2.C31H37N11O2/c34-24-23-25(35)31(37-29-27-12-4-10-18-44(27)40-33(29)46-22-20-42-15-7-2-8-16-42)38-30(24)36-28-26-11-3-9-17-43(26)39-32(28)45-21-19-41-13-5-1-6-14-41;34-24-23-25(35)31(37-29-27-12-2-4-20-44(27)40-33(29)46-22-10-18-42-15-7-8-16-42)38-30(24)36-28-26-11-1-3-19-43(26)39-32(28)45-21-9-17-41-13-5-6-14-41;32-22-21-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-13-7-8-14-40)36-28(22)34-26-24-9-1-3-15-41(24)37-30(26)43-19-17-39-11-5-6-12-39/h3-4,9-12,17-18,23,34H,1-2,5-8,13-16,19-22,35H2,(H,36,37,38);1-4,11-12,19-20,23,34H,5-10,13-18,21-22,35H2,(H,36,37,38);1-4,9-10,15-16,21,32H,5-8,11-14,17-20,33H2,(H,34,35,36)/b2*34-24+;32-22+
• InChIKey: QZDFDPNKUUEZNB-BNWZWXMFSA-N
• XLogP: 11.60
• TPSA: 438.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1843.24
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?

The IUPAC name of 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (CID 160559665) is 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

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

The canonical SMILES for 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCCN2CCCC2)nn2ccccc12.[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12.[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCCC2)nn2ccccc12.

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

The InChIKey is QZDFDPNKUUEZNB-BNWZWXMFSA-N. The full InChI is InChI=1S/2C33H41N11O2.C31H37N11O2/c34-24-23-25(35)31(37-29-27-12-4-10-18-44(27)40-33(29)46-22-20-42-15-7-2-8-16-42)38-30(24)36-28-26-11-3-9-17-43(26)39-32(28)45-21-19-41-13-5-1-6-14-41;34-24-23-25(35)31(37-29-27-12-2-4-20-44(27)40-33(29)46-22-10-18-42-15-7-8-16-42)38-30(24)36-28-26-11-1-3-19-43(26)39-32(28)45-21-9-17-41-13-5-6-14-41;32-22-21-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-13-7-8-14-40)36-28(22)34-26-24-9-1-3-15-41(24)37-30(26)43-19-17-39-11-5-6-12-39/h3-4,9-12,17-18,23,34H,1-2,5-8,13-16,19-22,35H2,(H,36,37,38);1-4,11-12,19-20,23,34H,5-10,13-18,21-22,35H2,(H,36,37,38);1-4,9-10,15-16,21,32H,5-8,11-14,17-20,33H2,(H,34,35,36)/b2*34-24+;32-22+.

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

3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine has a molecular weight of 1843.24 g/mol, XLogP of 11.60, 32 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imino-2-N-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine;3-imino-2-N-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is sourced from PubChem (CID 160559665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).