N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide

C37H41FN8O5 — CID 176641309

About N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide

N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 176641309) has the molecular formula C37H41FN8O5 and a molecular weight of 696.78 g/mol. Its IUPAC name is N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
• PubChem CID: 176641309
• Molecular Formula: C37H41FN8O5
• Molecular Weight: 696.78 g/mol
• Exact Mass: 696.32
• IUPAC Name: N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc(C(=O)Nc2ccc3nn(C4CCC(CN5CC[C@@H](c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)[C@H](F)C5)CC4)cc3c2)co1
• InChI: InChI=1S/C37H41FN8O5/c1-21-39-30(20-51-21)35(48)40-24-8-11-29-23(16-24)18-45(42-29)25-9-6-22(7-10-25)17-44-15-14-26(28(38)19-44)27-4-3-5-31-34(27)43(2)37(50)46(31)32-12-13-33(47)41-36(32)49/h3-5,8,11,16,18,20,22,25-26,28,32H,6-7,9-10,12-15,17,19H2,1-2H3,(H,40,48)(H,41,47,49)/t22?,25?,26-,28+,32?/m0/s1
• InChIKey: BZOITCCXTOTVEP-SOIACLJCSA-N
• XLogP: 4.78
• TPSA: 149.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.78
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
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 N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide (CID 176641309) is N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc3nn(C4CCC(CN5CC[C@@H](c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)[C@H](F)C5)CC4)cc3c2)co1.

What is the InChIKey of N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?

The InChIKey is BZOITCCXTOTVEP-SOIACLJCSA-N. The full InChI is InChI=1S/C37H41FN8O5/c1-21-39-30(20-51-21)35(48)40-24-8-11-29-23(16-24)18-45(42-29)25-9-6-22(7-10-25)17-44-15-14-26(28(38)19-44)27-4-3-5-31-34(27)43(2)37(50)46(31)32-12-13-33(47)41-36(32)49/h3-5,8,11,16,18,20,22,25-26,28,32H,6-7,9-10,12-15,17,19H2,1-2H3,(H,40,48)(H,41,47,49)/t22?,25?,26-,28+,32?/m0/s1.

What are the key properties of N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide?

N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 696.78 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176641309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).