4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C43H44ClFN8O4 — CID 176932897

About 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932897) has the molecular formula C43H44ClFN8O4 and a molecular weight of 791.33 g/mol. Its IUPAC name is 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176932897
• Molecular Formula: C43H44ClFN8O4
• Molecular Weight: 791.33 g/mol
• Exact Mass: 790.32
• IUPAC Name: 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CN(C)C(=O)c1cc2c(-c3ccc(C4CCN(c5ccc(C6CCC(=O)NC6=O)cc5Cl)CC4)cc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C43H44ClFN8O4/c1-50(2)43(57)36-24-34-32(23-33(40(45)41(34)47-36)30-4-3-17-52(25-30)39(55)15-20-53-21-16-46-49-53)28-7-5-26(6-8-28)27-13-18-51(19-14-27)37-11-9-29(22-35(37)44)31-10-12-38(54)48-42(31)56/h4-9,11,16,21-24,27,31,47H,3,10,12-15,17-20,25H2,1-2H3,(H,48,54,56)
• InChIKey: XTBAXPOPZWHYRU-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 136.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.33
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932897) is 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(-c3ccc(C4CCN(c5ccc(C6CCC(=O)NC6=O)cc5Cl)CC4)cc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is XTBAXPOPZWHYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44ClFN8O4/c1-50(2)43(57)36-24-34-32(23-33(40(45)41(34)47-36)30-4-3-17-52(25-30)39(55)15-20-53-21-16-46-49-53)28-7-5-26(6-8-28)27-13-18-51(19-14-27)37-11-9-29(22-35(37)44)31-10-12-38(54)48-42(31)56/h4-9,11,16,21-24,27,31,47H,3,10,12-15,17-20,25H2,1-2H3,(H,48,54,56).

What are the key properties of 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 791.33 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[2-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176932897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).