4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C45H52FN9O4 — CID 176932466

About 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932466) has the molecular formula C45H52FN9O4 and a molecular weight of 801.97 g/mol. Its IUPAC name is 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176932466
• Molecular Formula: C45H52FN9O4
• Molecular Weight: 801.97 g/mol
• Exact Mass: 801.41
• IUPAC Name: 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: Cc1nn(C2CCC(=O)NC2=O)c2cccc(N3CCC4(CCC(c5cc(C6=CCCN(C(=O)CCn7cccn7)C6)c(F)c6[nH]c(C(=O)N(C)C)cc56)CC4)CC3)c12
• InChI: InChI=1S/C45H52FN9O4/c1-28-40-35(8-4-9-36(40)55(50-28)37-10-11-38(56)49-43(37)58)52-23-17-45(18-24-52)15-12-29(13-16-45)31-25-32(41(46)42-33(31)26-34(48-42)44(59)51(2)3)30-7-5-20-53(27-30)39(57)14-22-54-21-6-19-47-54/h4,6-9,19,21,25-26,29,37,48H,5,10-18,20,22-24,27H2,1-3H3,(H,49,56,58)
• InChIKey: GWFFWQWWKANRLR-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 141.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.97
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932466) is 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is Cc1nn(C2CCC(=O)NC2=O)c2cccc(N3CCC4(CCC(c5cc(C6=CCCN(C(=O)CCn7cccn7)C6)c(F)c6[nH]c(C(=O)N(C)C)cc56)CC4)CC3)c12.

What is the InChIKey of 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is GWFFWQWWKANRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52FN9O4/c1-28-40-35(8-4-9-36(40)55(50-28)37-10-11-38(56)49-43(37)58)52-23-17-45(18-24-52)15-12-29(13-16-45)31-25-32(41(46)42-33(31)26-34(48-42)44(59)51(2)3)30-7-5-20-53(27-30)39(57)14-22-54-21-6-19-47-54/h4,6-9,19,21,25-26,29,37,48H,5,10-18,20,22-24,27H2,1-3H3,(H,49,56,58).

What are the key properties of 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 801.97 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3-azaspiro[5.5]undecan-9-yl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176932466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).