[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

C68H73N13O9 — CID 159750551

About [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate (PubChem CID 159750551) has the molecular formula C68H73N13O9 and a molecular weight of 1216.41 g/mol. Its IUPAC name is [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
• PubChem CID: 159750551
• Molecular Formula: C68H73N13O9
• Molecular Weight: 1216.41 g/mol
• Exact Mass: 1215.57
• IUPAC Name: [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
• SMILES: Cc1cc(CC(OC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N2CCC(c3ccccn3)CC2)cc2cn[nH]c12.Cc1cc(CC(OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(c3ccccn3)CC2)cc2cn[nH]c12
• InChI: InChI=1S/C34H37N7O4.C34H36N6O5/c1-22-18-23(19-25-21-36-38-31(22)25)20-30(32(42)39-14-9-24(10-15-39)27-6-4-5-13-35-27)45-34(44)40-16-11-26(12-17-40)41-29-8-3-2-7-28(29)37-33(41)43;1-22-18-23(19-25-21-36-38-30(22)25)20-29(31(41)39-14-9-24(10-15-39)27-7-4-5-13-35-27)44-33(43)40-16-11-34(12-17-40)26-6-2-3-8-28(26)37-32(42)45-34/h2-8,13,18-19,21,24,26,30H,9-12,14-17,20H2,1H3,(H,36,38)(H,37,43);2-8,13,18-19,21,24,29H,9-12,14-17,20H2,1H3,(H,36,38)(H,37,42)
• InChIKey: NDPDQAXDZIFWIQ-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 258.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.41
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate?

The IUPAC name of [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate (CID 159750551) is [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate?

The canonical SMILES for [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate is Cc1cc(CC(OC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N2CCC(c3ccccn3)CC2)cc2cn[nH]c12.Cc1cc(CC(OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(c3ccccn3)CC2)cc2cn[nH]c12.

What is the InChIKey of [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate?

The InChIKey is NDPDQAXDZIFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O4.C34H36N6O5/c1-22-18-23(19-25-21-36-38-31(22)25)20-30(32(42)39-14-9-24(10-15-39)27-6-4-5-13-35-27)45-34(44)40-16-11-26(12-17-40)41-29-8-3-2-7-28(29)37-33(41)43;1-22-18-23(19-25-21-36-38-30(22)25)20-29(31(41)39-14-9-24(10-15-39)27-7-4-5-13-35-27)44-33(43)40-16-11-34(12-17-40)26-6-2-3-8-28(26)37-32(42)45-34/h2-8,13,18-19,21,24,26,30H,9-12,14-17,20H2,1H3,(H,36,38)(H,37,43);2-8,13,18-19,21,24,29H,9-12,14-17,20H2,1H3,(H,36,38)(H,37,42).

What are the key properties of [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate?

[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate has a molecular weight of 1216.41 g/mol, XLogP of 9.97, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 159750551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).