Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane

C₈₈H₁₀₁Cl₈N₁₇O₁₅S₃ — CID 158867130

About Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane

Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane (PubChem CID 158867130) has the molecular formula C₈₈H₁₀₁Cl₈N₁₇O₁₅S₃ and a molecular weight of 2016.70 g/mol. Its IUPAC name is azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane.

Molecular Properties

• Compound Name: Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane
• PubChem CID: 158867130
• Molecular Formula: C₈₈H₁₀₁Cl₈N₁₇O₁₅S₃
• Molecular Weight: 2016.70 g/mol
• Exact Mass: 2011.43
• IUPAC Name: azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane
• SMILES: C.C.C.C.C1CCOC1.COC(=O)C1CCN(S(=O)(=O)c2cnc3n2[C@](C)(Cc2ccc(C#N)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1.C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(C(=O)O)CC3)n21.C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(C(N)=O)CC3)n21.ClCCl.N
• InChI: InChI=1S/C27H25Cl2N5O5S.C26H24Cl2N6O4S.C26H23Cl2N5O5S.C4H8O.CH2Cl2.4CH4.H3N/c1-27(14-17-3-5-18(15-30)6-4-17)25(36)33(22-12-20(28)11-21(29)13-22)26-31-16-23(34(26)27)40(37,38)32-9-7-19(8-10-32)24(35)39-2;1-26(13-16-2-4-17(14-29)5-3-16)24(36)33(21-11-19(27)10-20(28)12-21)25-31-15-22(34(25)26)39(37,38)32-8-6-18(7-9-32)23(30)35;1-26(13-16-2-4-17(14-29)5-3-16)24(36)32(21-11-19(27)10-20(28)12-21)25-30-15-22(33(25)26)39(37,38)31-8-6-18(7-9-31)23(34)35;1-2-4-5-3-1;2-1-3;;;;;/h3-6,11-13,16,19H,7-10,14H2,1-2H3;2-5,10-12,15,18H,6-9,13H2,1H3,(H2,30,35);2-5,10-12,15,18H,6-9,13H2,1H3,(H,34,35);1-4H2;1H2;4*1H4;1H3/t27-;2*26-;;;;;;;/m111......./s1
• InChIKey: UBZGZDCUTAMXDY-NHSYHIRTSA-N
• XLogP: 16.96
• TPSA: 448.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.70
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane?

The IUPAC name of Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane (CID 158867130) is azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane.

What is the SMILES notation for Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane?

The canonical SMILES for Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane is C.C.C.C.C1CCOC1.COC(=O)C1CCN(S(=O)(=O)c2cnc3n2[C@](C)(Cc2ccc(C#N)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1.C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(C(=O)O)CC3)n21.C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(C(N)=O)CC3)n21.ClCCl.N.

What is the InChIKey of Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane?

The InChIKey is UBZGZDCUTAMXDY-NHSYHIRTSA-N. The full InChI is InChI=1S/C27H25Cl2N5O5S.C26H24Cl2N6O4S.C26H23Cl2N5O5S.C4H8O.CH2Cl2.4CH4.H3N/c1-27(14-17-3-5-18(15-30)6-4-17)25(36)33(22-12-20(28)11-21(29)13-22)26-31-16-23(34(26)27)40(37,38)32-9-7-19(8-10-32)24(35)39-2;1-26(13-16-2-4-17(14-29)5-3-16)24(36)33(21-11-19(27)10-20(28)12-21)25-31-15-22(34(25)26)39(37,38)32-8-6-18(7-9-32)23(30)35;1-26(13-16-2-4-17(14-29)5-3-16)24(36)32(21-11-19(27)10-20(28)12-21)25-30-15-22(33(25)26)39(37,38)31-8-6-18(7-9-31)23(34)35;1-2-4-5-3-1;2-1-3;;;;;/h3-6,11-13,16,19H,7-10,14H2,1-2H3;2-5,10-12,15,18H,6-9,13H2,1H3,(H2,30,35);2-5,10-12,15,18H,6-9,13H2,1H3,(H,34,35);1-4H2;1H2;4*1H4;1H3/t27-;2*26-;;;;;;;/m111......./s1.

What are the key properties of Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane?

Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane has a molecular weight of 2016.70 g/mol, XLogP of 16.96, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for Azane;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide;1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylic acid;dichloromethane;methane;methyl 1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate;oxolane is sourced from PubChem (CID 158867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158867130 — identifiers, structure, computed properties (public domain)

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