2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone

C160H182N12O20 — CID 158925573

IUPAC2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESC.CC(=O)c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)C3(O)CC3)CC4)cc2)c(C)c1.COc1c(C)cc(C(=O)O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.COc1ccc(C(C)=O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(-c2ncn[nH]2)ccc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(CC(=O)O)ccc1-c1ccc([C@H]2CC23CCN(C(=O)C2(O)CC2)CC3)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2ccc(-c3ncn[nH]3)cc2)cc1
InChIInChI=1S/C27H30N4O2.C27H31NO5.C27H31NO4.C26H28N4O2.C26H29NO4.C26H29NO3.CH4/c1-18-15-21(25-28-17-29-30-25)8-9-22(18)19-4-6-20(7-5-19)23-16-27(23)10-12-31(13-11-27)26(32)24-3-2-14-33-24;1-17-14-20(26(30)31)15-21(24(17)32-2)18-5-7-19(8-6-18)22-16-27(22)9-11-28(12-10-27)25(29)23-4-3-13-33-23;1-18(29)21-9-10-24(31-2)22(16-21)19-5-7-20(8-6-19)23-17-27(23)11-13-28(14-12-27)26(30)25-4-3-15-32-25;31-25(23-2-1-15-32-23)30-13-11-26(12-14-30)16-22(26)20-7-3-18(4-8-20)19-5-9-21(10-6-19)24-27-17-28-29-24;1-17-14-18(15-23(28)29)2-7-21(17)19-3-5-20(6-4-19)22-16-25(22)10-12-27(13-11-25)24(30)26(31)8-9-26;1-17-15-21(18(2)28)7-8-22(17)19-3-5-20(6-4-19)23-16-25(23)11-13-27(14-12-25)24(29)26(30)9-10-26;/h4-9,15,17,23-24H,2-3,10-14,16H2,1H3,(H,28,29,30);5-8,14-15,22-23H,3-4,9-13,16H2,1-2H3,(H,30,31);5-10,16,23,25H,3-4,11-15,17H2,1-2H3;3-10,17,22-23H,1-2,11-16H2,(H,27,28,29);2-7,14,22,31H,8-13,15-16H2,1H3,(H,28,29);3-8,15,23,30H,9-14,16H2,1-2H3;1H4/t23-,24-;22-,23-;23-,25-;22-,23-;22-;23-;/m111111./s1
InChIKeyJIJZNXSCWDYXJH-HWHRXQFGSA-N
MW2593.28 g/mol
LogP27.65
Rot. Bonds27

About 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone

2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 158925573) has the molecular formula C160H182N12O20 and a molecular weight of 2593.28 g/mol. Its IUPAC name is 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

Compound Name2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
PubChem CID158925573
Molecular FormulaC160H182N12O20
Molecular Weight2593.28 g/mol
Exact Mass2591.36
IUPAC Name2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESC.CC(=O)c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)C3(O)CC3)CC4)cc2)c(C)c1.COc1c(C)cc(C(=O)O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.COc1ccc(C(C)=O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(-c2ncn[nH]2)ccc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(CC(=O)O)ccc1-c1ccc([C@H]2CC23CCN(C(=O)C2(O)CC2)CC3)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2ccc(-c3ncn[nH]3)cc2)cc1
InChIInChI=1S/C27H30N4O2.C27H31NO5.C27H31NO4.C26H28N4O2.C26H29NO4.C26H29NO3.CH4/c1-18-15-21(25-28-17-29-30-25)8-9-22(18)19-4-6-20(7-5-19)23-16-27(23)10-12-31(13-11-27)26(32)24-3-2-14-33-24;1-17-14-20(26(30)31)15-21(24(17)32-2)18-5-7-19(8-6-18)22-16-27(22)9-11-28(12-10-27)25(29)23-4-3-13-33-23;1-18(29)21-9-10-24(31-2)22(16-21)19-5-7-20(8-6-19)23-17-27(23)11-13-28(14-12-27)26(30)25-4-3-15-32-25;31-25(23-2-1-15-32-23)30-13-11-26(12-14-30)16-22(26)20-7-3-18(4-8-20)19-5-9-21(10-6-19)24-27-17-28-29-24;1-17-14-18(15-23(28)29)2-7-21(17)19-3-5-20(6-4-19)22-16-25(22)10-12-27(13-11-25)24(30)26(31)8-9-26;1-17-15-21(18(2)28)7-8-22(17)19-3-5-20(6-4-19)23-16-25(23)11-13-27(14-12-25)24(29)26(30)9-10-26;/h4-9,15,17,23-24H,2-3,10-14,16H2,1H3,(H,28,29,30);5-8,14-15,22-23H,3-4,9-13,16H2,1-2H3,(H,30,31);5-10,16,23,25H,3-4,11-15,17H2,1-2H3;3-10,17,22-23H,1-2,11-16H2,(H,27,28,29);2-7,14,22,31H,8-13,15-16H2,1H3,(H,28,29);3-8,15,23,30H,9-14,16H2,1-2H3;1H4/t23-,24-;22-,23-;23-,25-;22-,23-;22-;23-;/m111111./s1
InChIKeyJIJZNXSCWDYXJH-HWHRXQFGSA-N
XLogP27.65
TPSA409.58 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002593.28
LogP ≤ 527.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The IUPAC name of 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone (CID 158925573) is 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone.
What is the SMILES notation for 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The canonical SMILES for 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone is C.CC(=O)c1ccc(-c2ccc([C@H]3CC34CCN(C(=O)C3(O)CC3)CC4)cc2)c(C)c1.COc1c(C)cc(C(=O)O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.COc1ccc(C(C)=O)cc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(-c2ncn[nH]2)ccc1-c1ccc([C@H]2CC23CCN(C(=O)[C@H]2CCCO2)CC3)cc1.Cc1cc(CC(=O)O)ccc1-c1ccc([C@H]2CC23CCN(C(=O)C2(O)CC2)CC3)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2ccc(-c3ncn[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The InChIKey is JIJZNXSCWDYXJH-HWHRXQFGSA-N. The full InChI is InChI=1S/C27H30N4O2.C27H31NO5.C27H31NO4.C26H28N4O2.C26H29NO4.C26H29NO3.CH4/c1-18-15-21(25-28-17-29-30-25)8-9-22(18)19-4-6-20(7-5-19)23-16-27(23)10-12-31(13-11-27)26(32)24-3-2-14-33-24;1-17-14-20(26(30)31)15-21(24(17)32-2)18-5-7-19(8-6-18)22-16-27(22)9-11-28(12-10-27)25(29)23-4-3-13-33-23;1-18(29)21-9-10-24(31-2)22(16-21)19-5-7-20(8-6-19)23-17-27(23)11-13-28(14-12-27)26(30)25-4-3-15-32-25;31-25(23-2-1-15-32-23)30-13-11-26(12-14-30)16-22(26)20-7-3-18(4-8-20)19-5-9-21(10-6-19)24-27-17-28-29-24;1-17-14-18(15-23(28)29)2-7-21(17)19-3-5-20(6-4-19)22-16-25(22)10-12-27(13-11-25)24(30)26(31)8-9-26;1-17-15-21(18(2)28)7-8-22(17)19-3-5-20(6-4-19)23-16-25(23)11-13-27(14-12-25)24(29)26(30)9-10-26;/h4-9,15,17,23-24H,2-3,10-14,16H2,1H3,(H,28,29,30);5-8,14-15,22-23H,3-4,9-13,16H2,1-2H3,(H,30,31);5-10,16,23,25H,3-4,11-15,17H2,1-2H3;3-10,17,22-23H,1-2,11-16H2,(H,27,28,29);2-7,14,22,31H,8-13,15-16H2,1H3,(H,28,29);3-8,15,23,30H,9-14,16H2,1-2H3;1H4/t23-,24-;22-,23-;23-,25-;22-,23-;22-;23-;/m111111./s1.
What are the key properties of 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 2593.28 g/mol, XLogP of 27.65, 27 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]acetic acid;1-[4-[4-[(2S)-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-methylphenyl]ethanone;methane;4-methoxy-3-methyl-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid;1-[4-methoxy-3-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]ethanone;[(2S)-2-[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-oxolan-2-yl]-[(2S)-2-[4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 158925573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).