[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid

C179H200BBrN12O30 — CID 158625577

IUPAC[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid
SMILESCOC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)[nH]c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C)c2c1.COC(=O)c1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1.Cn1c(-c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.Cn1c(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1
InChIInChI=1S/C33H38N2O6.C29H32N2O4.3C28H30N2O4.C18H22BrNO2.C15H18BNO6/c1-32(2,3)41-31(38)35-26(18-23-11-12-24(19-27(23)35)30(37)39-4)22-9-7-21(8-10-22)25-20-33(25)13-15-34(16-14-33)29(36)28-6-5-17-40-28;1-30-24(16-21-9-10-22(17-25(21)30)28(33)34-2)20-7-5-19(6-8-20)23-18-29(23)11-13-31(14-12-29)27(32)26-4-3-15-35-26;1-33-27(32)21-9-8-20-15-23(29-24(20)16-21)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;2*1-29-23(15-20-8-9-21(27(32)33)16-24(20)29)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h7-12,18-19,25,28H,5-6,13-17,20H2,1-4H3;5-10,16-17,23,26H,3-4,11-15,18H2,1-2H3;4-9,15-16,22,25,29H,2-3,10-14,17H2,1H3;2*4-9,15-16,22,25H,2-3,10-14,17H2,1H3,(H,32,33);3-6,15-16H,1-2,7-12H2;5-8,20-21H,1-4H3/t25?,28-;23?,26-;22?,25-;22-,25+;22-,25-;15?,16-;/m111011./s1
InChIKeyHYNYVAUOUJRDET-UAHNPEEVSA-N
MW3090.34 g/mol
LogP30.21
Rot. Bonds24

About [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid

[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid (PubChem CID 158625577) has the molecular formula C179H200BBrN12O30 and a molecular weight of 3090.34 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid
PubChem CID158625577
Molecular FormulaC179H200BBrN12O30
Molecular Weight3090.34 g/mol
Exact Mass3087.38
IUPAC Name[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid
SMILESCOC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)[nH]c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C)c2c1.COC(=O)c1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1.Cn1c(-c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.Cn1c(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1
InChIInChI=1S/C33H38N2O6.C29H32N2O4.3C28H30N2O4.C18H22BrNO2.C15H18BNO6/c1-32(2,3)41-31(38)35-26(18-23-11-12-24(19-27(23)35)30(37)39-4)22-9-7-21(8-10-22)25-20-33(25)13-15-34(16-14-33)29(36)28-6-5-17-40-28;1-30-24(16-21-9-10-22(17-25(21)30)28(33)34-2)20-7-5-19(6-8-20)23-18-29(23)11-13-31(14-12-29)27(32)26-4-3-15-35-26;1-33-27(32)21-9-8-20-15-23(29-24(20)16-21)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;2*1-29-23(15-20-8-9-21(27(32)33)16-24(20)29)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h7-12,18-19,25,28H,5-6,13-17,20H2,1-4H3;5-10,16-17,23,26H,3-4,11-15,18H2,1-2H3;4-9,15-16,22,25,29H,2-3,10-14,17H2,1H3;2*4-9,15-16,22,25H,2-3,10-14,17H2,1H3,(H,32,33);3-6,15-16H,1-2,7-12H2;5-8,20-21H,1-4H3/t25?,28-;23?,26-;22?,25-;22-,25+;22-,25-;15?,16-;/m111011./s1
InChIKeyHYNYVAUOUJRDET-UAHNPEEVSA-N
XLogP30.21
TPSA490.54 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003090.34
LogP ≤ 530.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid?
The IUPAC name of [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid (CID 158625577) is [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid.
What is the SMILES notation for [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid?
The canonical SMILES for [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid is COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)[nH]c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2cc(-c3ccc(C4CC45CCN(C(=O)[C@H]4CCCO4)CC5)cc3)n(C)c2c1.COC(=O)c1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1.Cn1c(-c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.Cn1c(-c2ccc([C@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)cc2ccc(C(=O)O)cc21.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid?
The InChIKey is HYNYVAUOUJRDET-UAHNPEEVSA-N. The full InChI is InChI=1S/C33H38N2O6.C29H32N2O4.3C28H30N2O4.C18H22BrNO2.C15H18BNO6/c1-32(2,3)41-31(38)35-26(18-23-11-12-24(19-27(23)35)30(37)39-4)22-9-7-21(8-10-22)25-20-33(25)13-15-34(16-14-33)29(36)28-6-5-17-40-28;1-30-24(16-21-9-10-22(17-25(21)30)28(33)34-2)20-7-5-19(6-8-20)23-18-29(23)11-13-31(14-12-29)27(32)26-4-3-15-35-26;1-33-27(32)21-9-8-20-15-23(29-24(20)16-21)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;2*1-29-23(15-20-8-9-21(27(32)33)16-24(20)29)19-6-4-18(5-7-19)22-17-28(22)10-12-30(13-11-28)26(31)25-3-2-14-34-25;19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h7-12,18-19,25,28H,5-6,13-17,20H2,1-4H3;5-10,16-17,23,26H,3-4,11-15,18H2,1-2H3;4-9,15-16,22,25,29H,2-3,10-14,17H2,1H3;2*4-9,15-16,22,25H,2-3,10-14,17H2,1H3,(H,32,33);3-6,15-16H,1-2,7-12H2;5-8,20-21H,1-4H3/t25?,28-;23?,26-;22?,25-;22-,25+;22-,25-;15?,16-;/m111011./s1.
What are the key properties of [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid?
[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid has a molecular weight of 3090.34 g/mol, XLogP of 30.21, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;1-O-tert-butyl 6-O-methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-1,6-dicarboxylate;[6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;methyl 1-methyl-2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylate;methyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1H-indole-6-carboxylate;1-methyl-2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid;1-methyl-2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]indole-6-carboxylic acid is sourced from PubChem (CID 158625577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).