6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide

C37H38FN11O4 — CID 169120355

About 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide

6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide (PubChem CID 169120355) has the molecular formula C37H38FN11O4 and a molecular weight of 719.78 g/mol. Its IUPAC name is 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide
• PubChem CID: 169120355
• Molecular Formula: C37H38FN11O4
• Molecular Weight: 719.78 g/mol
• Exact Mass: 719.31
• IUPAC Name: 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(F)c(N3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C#N)n7)ncc6n5)CC4)CC3)c21
• InChI: InChI=1S/C37H38FN11O4/c1-45-34-29(49(37(45)53)30-11-12-32(50)43-36(30)52)10-9-26(38)33(34)47-15-13-46(14-16-47)20-22-5-7-25(8-6-22)48-21-23-17-31(40-19-28(23)44-48)42-35(51)27-4-2-3-24(18-39)41-27/h2-4,9-10,17,19,21-22,25,30H,5-8,11-16,20H2,1H3,(H,42,51)(H,43,50,52)
• InChIKey: ANTRKYUIXABEOY-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 176.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.78
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide (CID 169120355) is 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(F)c(N3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C#N)n7)ncc6n5)CC4)CC3)c21.

What is the InChIKey of 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide?

The InChIKey is ANTRKYUIXABEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN11O4/c1-45-34-29(49(37(45)53)30-11-12-32(50)43-36(30)52)10-9-26(38)33(34)47-15-13-46(14-16-47)20-22-5-7-25(8-6-22)48-21-23-17-31(40-19-28(23)44-48)42-35(51)27-4-2-3-24(18-39)41-27/h2-4,9-10,17,19,21-22,25,30H,5-8,11-16,20H2,1H3,(H,42,51)(H,43,50,52).

What are the key properties of 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide?

6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide has a molecular weight of 719.78 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169120355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).