tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate

C31H35N7O4 — CID 67261867

About tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate

tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate (PubChem CID 67261867) has the molecular formula C31H35N7O4 and a molecular weight of 569.67 g/mol. Its IUPAC name is tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate
• PubChem CID: 67261867
• Molecular Formula: C31H35N7O4
• Molecular Weight: 569.67 g/mol
• Exact Mass: 569.28
• IUPAC Name: tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate
• SMILES: CCc1nn(Cc2cccc(OCCCNC(=O)OC(C)(C)C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
• InChI: InChI=1S/C31H35N7O4/c1-5-22-28-23(35-29(39)25-19-33-26-14-6-7-17-37(25)26)12-9-13-24(28)38(36-22)20-21-11-8-15-27(34-21)41-18-10-16-32-30(40)42-31(2,3)4/h6-9,11-15,17,19H,5,10,16,18,20H2,1-4H3,(H,32,40)(H,35,39)
• InChIKey: UXHYPRUZOVHDCP-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 124.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.67
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate?

The IUPAC name of tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate (CID 67261867) is tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate is CCc1nn(Cc2cccc(OCCCNC(=O)OC(C)(C)C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.

What is the InChIKey of tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate?

The InChIKey is UXHYPRUZOVHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4/c1-5-22-28-23(35-29(39)25-19-33-26-14-6-7-17-37(25)26)12-9-13-24(28)38(36-22)20-21-11-8-15-27(34-21)41-18-10-16-32-30(40)42-31(2,3)4/h6-9,11-15,17,19H,5,10,16,18,20H2,1-4H3,(H,32,40)(H,35,39).

What are the key properties of tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate?

tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate has a molecular weight of 569.67 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate is sourced from PubChem (CID 67261867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).