tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate

C32H39N9O3 — CID 67261385

About tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate (PubChem CID 67261385) has the molecular formula C32H39N9O3 and a molecular weight of 597.72 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
• PubChem CID: 67261385
• Molecular Formula: C32H39N9O3
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.32
• IUPAC Name: tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
• SMILES: CCc1nn(Cc2ccn(CCN3CCN(C(=O)OC(C)(C)C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
• InChI: InChI=1S/C32H39N9O3/c1-5-24-29-25(34-30(42)27-21-33-28-11-6-7-13-40(27)28)9-8-10-26(29)41(36-24)22-23-12-14-39(35-23)20-17-37-15-18-38(19-16-37)31(43)44-32(2,3)4/h6-14,21H,5,15-20,22H2,1-4H3,(H,34,42)
• InChIKey: JKIBVODOAARXEU-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 114.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate (CID 67261385) is tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate is CCc1nn(Cc2ccn(CCN3CCN(C(=O)OC(C)(C)C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.

What is the InChIKey of tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?

The InChIKey is JKIBVODOAARXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O3/c1-5-24-29-25(34-30(42)27-21-33-28-11-6-7-13-40(27)28)9-8-10-26(29)41(36-24)22-23-12-14-39(35-23)20-17-37-15-18-38(19-16-37)31(43)44-32(2,3)4/h6-14,21H,5,15-20,22H2,1-4H3,(H,34,42).

What are the key properties of tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate?

tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate has a molecular weight of 597.72 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 67261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).