4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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

C43H49F2N7O4 — CID 176933309

About 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 176933309) has the molecular formula C43H49F2N7O4 and a molecular weight of 765.91 g/mol. Its IUPAC name is 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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: 176933309
• Molecular Formula: C43H49F2N7O4
• Molecular Weight: 765.91 g/mol
• Exact Mass: 765.38
• IUPAC Name: 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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: CN(C)C(=O)c1cc2c(C3CCC4(CC3)CCN(c3ccc(C5CCC(=O)NC5=O)cc3F)CC4)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C43H49F2N7O4/c1-49(2)42(56)35-25-33-31(24-32(39(45)40(33)47-35)29-5-3-18-51(26-29)38(54)12-20-52-19-4-17-46-52)27-10-13-43(14-11-27)15-21-50(22-16-43)36-8-6-28(23-34(36)44)30-7-9-37(53)48-41(30)55/h4-6,8,17,19,23-25,27,30,47H,3,7,9-16,18,20-22,26H2,1-2H3,(H,48,53,55)
• InChIKey: UVAXVYCWZWKFMR-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 123.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.91
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 176933309) is 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 CN(C)C(=O)c1cc2c(C3CCC4(CC3)CCN(c3ccc(C5CCC(=O)NC5=O)cc3F)CC4)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 UVAXVYCWZWKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49F2N7O4/c1-49(2)42(56)35-25-33-31(24-32(39(45)40(33)47-35)29-5-3-18-51(26-29)38(54)12-20-52-19-4-17-46-52)27-10-13-43(14-11-27)15-21-50(22-16-43)36-8-6-28(23-34(36)44)30-7-9-37(53)48-41(30)55/h4-6,8,17,19,23-25,27,30,47H,3,7,9-16,18,20-22,26H2,1-2H3,(H,48,53,55).

What are the key properties of 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 765.91 g/mol, XLogP of 6.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-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 176933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).