5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide

C47H56N10O5 — CID 170083909

About 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide

5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (PubChem CID 170083909) has the molecular formula C47H56N10O5 and a molecular weight of 841.03 g/mol. Its IUPAC name is 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• PubChem CID: 170083909
• Molecular Formula: C47H56N10O5
• Molecular Weight: 841.03 g/mol
• Exact Mass: 840.44
• IUPAC Name: 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CC4)CCN(c4cccc6c4n(C)c(=O)n6C4CCC(=O)NC4=O)CC5)CC3)cc2cc1NC(=O)c1cncc(C(C)(C)C#N)c1
• InChI: InChI=1S/C47H56N10O5/c1-46(2,29-48)33-22-31(25-49-26-33)43(59)50-36-23-32-28-56(52-35(32)24-40(36)62-4)34-10-8-30(9-11-34)27-54-18-14-47(15-19-54)16-20-55(21-17-47)37-6-5-7-38-42(37)53(3)45(61)57(38)39-12-13-41(58)51-44(39)60/h5-7,22-26,28,30,34,39H,8-21,27H2,1-4H3,(H,50,59)(H,51,58,60)
• InChIKey: RXOUBCIDSQJWOP-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 172.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	841.03
LogP ≤ 5	6.24
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 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (CID 170083909) is 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CC4)CCN(c4cccc6c4n(C)c(=O)n6C4CCC(=O)NC4=O)CC5)CC3)cc2cc1NC(=O)c1cncc(C(C)(C)C#N)c1.

What is the InChIKey of 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The InChIKey is RXOUBCIDSQJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56N10O5/c1-46(2,29-48)33-22-31(25-49-26-33)43(59)50-36-23-32-28-56(52-35(32)24-40(36)62-4)34-10-8-30(9-11-34)27-54-18-14-47(15-19-54)16-20-55(21-17-47)37-6-5-7-38-42(37)53(3)45(61)57(38)39-12-13-41(58)51-44(39)60/h5-7,22-26,28,30,34,39H,8-21,27H2,1-4H3,(H,50,59)(H,51,58,60).

What are the key properties of 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide has a molecular weight of 841.03 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyanopropan-2-yl)-N-[2-[4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).