2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C45H54F2N10O5 — CID 159703247

About 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 159703247) has the molecular formula C45H54F2N10O5 and a molecular weight of 852.99 g/mol. Its IUPAC name is 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 159703247
• Molecular Formula: C45H54F2N10O5
• Molecular Weight: 852.99 g/mol
• Exact Mass: 852.42
• IUPAC Name: 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(CCCN4CCC(n5cc(NC(=O)c6coc(-c7ccnc(CCC8CC8)c7)n6)c(C(F)F)n5)CC4)CC3)c21
• InChI: InChI=1S/C45H54F2N10O5/c1-53-40-31(5-2-6-36(40)57(45(53)61)37-11-12-38(58)51-43(37)60)25-55-20-14-28(15-21-55)4-3-19-54-22-16-33(17-23-54)56-26-34(39(52-56)41(46)47)49-42(59)35-27-62-44(50-35)30-13-18-48-32(24-30)10-9-29-7-8-29/h2,5-6,13,18,24,26-29,33,37,41H,3-4,7-12,14-17,19-23,25H2,1H3,(H,49,59)(H,51,58,60)
• InChIKey: MXWVRHWCZGWNQE-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 165.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.99
LogP ≤ 5	6.43
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 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 159703247) is 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(CCCN4CCC(n5cc(NC(=O)c6coc(-c7ccnc(CCC8CC8)c7)n6)c(C(F)F)n5)CC4)CC3)c21.

What is the InChIKey of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is MXWVRHWCZGWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H54F2N10O5/c1-53-40-31(5-2-6-36(40)57(45(53)61)37-11-12-38(58)51-43(37)60)25-55-20-14-28(15-21-55)4-3-19-54-22-16-33(17-23-54)56-26-34(39(52-56)41(46)47)49-42(59)35-27-62-44(50-35)30-13-18-48-32(24-30)10-9-29-7-8-29/h2,5-6,13,18,24,26-29,33,37,41H,3-4,7-12,14-17,19-23,25H2,1H3,(H,49,59)(H,51,58,60).

What are the key properties of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 852.99 g/mol, XLogP of 6.43, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[1-[3-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]propyl]piperidin-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159703247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).