2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide

C56H62Cl2F3N7O7 — CID 178176085

About 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide

2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide (PubChem CID 178176085) has the molecular formula C56H62Cl2F3N7O7 and a molecular weight of 1073.05 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide.

Molecular Properties

• Compound Name: 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
• PubChem CID: 178176085
• Molecular Formula: C56H62Cl2F3N7O7
• Molecular Weight: 1073.05 g/mol
• Exact Mass: 1071.40
• IUPAC Name: 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
• SMILES: CC1c2c(cc(Cl)c(Cl)c2-c2c(C(N)=O)ccc(OCCO)c2F)OC1(CNC1CCC(C(=O)N2CCC(CN3CCC(c4c(F)cc5c(C6CCC(=O)NC6=O)nn(C)c5c4F)CC3)CC2)CC1)c1ccccc1
• InChI: InChI=1S/C56H62Cl2F3N7O7/c1-30-44-42(27-39(57)48(58)47(44)46-36(53(62)71)12-14-41(49(46)60)74-25-24-69)75-56(30,34-6-4-3-5-7-34)29-63-35-10-8-33(9-11-35)55(73)68-22-16-31(17-23-68)28-67-20-18-32(19-21-67)45-40(59)26-38-51(65-66(2)52(38)50(45)61)37-13-15-43(70)64-54(37)72/h3-7,12,14,26-27,30-33,35,37,63,69H,8-11,13,15-25,28-29H2,1-2H3,(H2,62,71)(H,64,70,72)
• InChIKey: AKIQWXGNJLASII-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 181.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.05
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide?

The IUPAC name of 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide (CID 178176085) is 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide.

What is the SMILES notation for 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide?

The canonical SMILES for 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide is CC1c2c(cc(Cl)c(Cl)c2-c2c(C(N)=O)ccc(OCCO)c2F)OC1(CNC1CCC(C(=O)N2CCC(CN3CCC(c4c(F)cc5c(C6CCC(=O)NC6=O)nn(C)c5c4F)CC3)CC2)CC1)c1ccccc1.

What is the InChIKey of 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide?

The InChIKey is AKIQWXGNJLASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H62Cl2F3N7O7/c1-30-44-42(27-39(57)48(58)47(44)46-36(53(62)71)12-14-41(49(46)60)74-25-24-69)75-56(30,34-6-4-3-5-7-34)29-63-35-10-8-33(9-11-35)55(73)68-22-16-31(17-23-68)28-67-20-18-32(19-21-67)45-40(59)26-38-51(65-66(2)52(38)50(45)61)37-13-15-43(70)64-54(37)72/h3-7,12,14,26-27,30-33,35,37,63,69H,8-11,13,15-25,28-29H2,1-2H3,(H2,62,71)(H,64,70,72).

What are the key properties of 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide?

2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide has a molecular weight of 1073.05 g/mol, XLogP of 8.61, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,6-dichloro-2-[[[4-[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carbonyl]cyclohexyl]amino]methyl]-3-methyl-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 178176085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).