N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

C26H29Cl2N7O2 — CID 67259420

About N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 67259420) has the molecular formula C26H29Cl2N7O2 and a molecular weight of 542.47 g/mol. Its IUPAC name is N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 67259420
• Molecular Formula: C26H29Cl2N7O2
• Molecular Weight: 542.47 g/mol
• Exact Mass: 541.18
• IUPAC Name: N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
• SMILES: CCc1nn(Cc2cccc(OCCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl
• InChI: InChI=1S/C26H27N7O2.2ClH/c1-2-19-25-20(30-26(34)22-16-28-23-11-3-4-14-32(22)23)9-6-10-21(25)33(31-19)17-18-8-5-12-24(29-18)35-15-7-13-27;;/h3-6,8-12,14,16H,2,7,13,15,17,27H2,1H3,(H,30,34);2*1H
• InChIKey: WPAPFQYRYWKMGJ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 112.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.47
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 67259420) is N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is CCc1nn(Cc2cccc(OCCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl.

What is the InChIKey of N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?

The InChIKey is WPAPFQYRYWKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.2ClH/c1-2-19-25-20(30-26(34)22-16-28-23-11-3-4-14-32(22)23)9-6-10-21(25)33(31-19)17-18-8-5-12-24(29-18)35-15-7-13-27;;/h3-6,8-12,14,16H,2,7,13,15,17,27H2,1H3,(H,30,34);2*1H.

What are the key properties of N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?

N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 542.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67259420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).