4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate

C159H169Cl3N22O28 — CID 164970958

IUPAC4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate
SMILESC=C1CCC(N2Cc3c(/N=N/c4cc(C)c(OCCCNC5(C)CCN(c6cnc(-c7cccc(Cl)c7Cl)c(N)n6)CC5)c(OC)c4)cccc3C2=O)C(=O)N1.CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCC(=O)COc1ccc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)c1cc(C)c(OC)c(C)c1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCCOc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C62H70N6O13.C56H54ClN7O11.C41H45Cl2N9O4/c1-7-45(41-32-38(2)58(78-6)39(3)33-41)60(73)67-31-11-10-18-51(67)62(75)81-53(27-20-40-21-28-54(76-4)55(34-40)77-5)47-15-8-9-19-52(47)80-37-57(71)63-30-13-14-43(69)36-79-44-24-22-42(23-25-44)65-66-49-17-12-16-46-48(49)35-68(61(46)74)50-26-29-56(70)64-59(50)72;1-33-16-17-34(42(57)24-33)18-20-47(66)40-25-35(29-62-22-9-10-37(30-62)64-45-15-5-4-13-44(45)58-56(64)71)49(28-48(40)67)74-23-7-6-11-38(65)32-75-53-50(72-2)26-36(27-51(53)73-3)60-61-43-14-8-12-39-41(43)31-63(55(39)70)46-19-21-52(68)59-54(46)69;1-24-20-26(49-50-31-11-6-8-27-29(31)23-52(40(27)54)32-13-12-25(2)47-39(32)53)21-33(55-4)37(24)56-19-7-16-46-41(3)14-17-51(18-15-41)34-22-45-36(38(44)48-34)28-9-5-10-30(42)35(28)43/h8-9,12,15-17,19,21-25,28,32-34,45,50-51,53H,7,10-11,13-14,18,20,26-27,29-31,35-37H2,1-6H3,(H,63,71)(H,64,70,72);4-5,8,10,12-18,20,24-28,46,67H,6-7,9,11,19,21-23,29-32H2,1-3H3,(H,58,71)(H,59,68,69);5-6,8-11,20-22,32,46H,2,7,12-19,23H2,1,3-4H3,(H2,44,48)(H,47,53)/b66-65+;20-18+,61-60+;50-49+/t45-,50?,51-,53+;;/m0../s1
InChIKeyDCNNQZYQZYPAKL-CLFIMJFWSA-N
MW2942.59 g/mol
LogP26.18
Rot. Bonds57

About 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate

4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate (PubChem CID 164970958) has the molecular formula C159H169Cl3N22O28 and a molecular weight of 2942.59 g/mol. Its IUPAC name is 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate
PubChem CID164970958
Molecular FormulaC159H169Cl3N22O28
Molecular Weight2942.59 g/mol
Exact Mass2939.15
IUPAC Name4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate
SMILESC=C1CCC(N2Cc3c(/N=N/c4cc(C)c(OCCCNC5(C)CCN(c6cnc(-c7cccc(Cl)c7Cl)c(N)n6)CC5)c(OC)c4)cccc3C2=O)C(=O)N1.CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCC(=O)COc1ccc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)c1cc(C)c(OC)c(C)c1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCCOc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C62H70N6O13.C56H54ClN7O11.C41H45Cl2N9O4/c1-7-45(41-32-38(2)58(78-6)39(3)33-41)60(73)67-31-11-10-18-51(67)62(75)81-53(27-20-40-21-28-54(76-4)55(34-40)77-5)47-15-8-9-19-52(47)80-37-57(71)63-30-13-14-43(69)36-79-44-24-22-42(23-25-44)65-66-49-17-12-16-46-48(49)35-68(61(46)74)50-26-29-56(70)64-59(50)72;1-33-16-17-34(42(57)24-33)18-20-47(66)40-25-35(29-62-22-9-10-37(30-62)64-45-15-5-4-13-44(45)58-56(64)71)49(28-48(40)67)74-23-7-6-11-38(65)32-75-53-50(72-2)26-36(27-51(53)73-3)60-61-43-14-8-12-39-41(43)31-63(55(39)70)46-19-21-52(68)59-54(46)69;1-24-20-26(49-50-31-11-6-8-27-29(31)23-52(40(27)54)32-13-12-25(2)47-39(32)53)21-33(55-4)37(24)56-19-7-16-46-41(3)14-17-51(18-15-41)34-22-45-36(38(44)48-34)28-9-5-10-30(42)35(28)43/h8-9,12,15-17,19,21-25,28,32-34,45,50-51,53H,7,10-11,13-14,18,20,26-27,29-31,35-37H2,1-6H3,(H,63,71)(H,64,70,72);4-5,8,10,12-18,20,24-28,46,67H,6-7,9,11,19,21-23,29-32H2,1-3H3,(H,58,71)(H,59,68,69);5-6,8-11,20-22,32,46H,2,7,12-19,23H2,1,3-4H3,(H2,44,48)(H,47,53)/b66-65+;20-18+,61-60+;50-49+/t45-,50?,51-,53+;;/m0../s1
InChIKeyDCNNQZYQZYPAKL-CLFIMJFWSA-N
XLogP26.18
TPSA613.31 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms212
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002942.59
LogP ≤ 526.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate?
The IUPAC name of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate (CID 164970958) is 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate.
What is the SMILES notation for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate?
The canonical SMILES for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate is C=C1CCC(N2Cc3c(/N=N/c4cc(C)c(OCCCNC5(C)CCN(c6cnc(-c7cccc(Cl)c7Cl)c(N)n6)CC5)c(OC)c4)cccc3C2=O)C(=O)N1.CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCC(=O)COc1ccc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)c1cc(C)c(OC)c(C)c1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCCOc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate?
The InChIKey is DCNNQZYQZYPAKL-CLFIMJFWSA-N. The full InChI is InChI=1S/C62H70N6O13.C56H54ClN7O11.C41H45Cl2N9O4/c1-7-45(41-32-38(2)58(78-6)39(3)33-41)60(73)67-31-11-10-18-51(67)62(75)81-53(27-20-40-21-28-54(76-4)55(34-40)77-5)47-15-8-9-19-52(47)80-37-57(71)63-30-13-14-43(69)36-79-44-24-22-42(23-25-44)65-66-49-17-12-16-46-48(49)35-68(61(46)74)50-26-29-56(70)64-59(50)72;1-33-16-17-34(42(57)24-33)18-20-47(66)40-25-35(29-62-22-9-10-37(30-62)64-45-15-5-4-13-44(45)58-56(64)71)49(28-48(40)67)74-23-7-6-11-38(65)32-75-53-50(72-2)26-36(27-51(53)73-3)60-61-43-14-8-12-39-41(43)31-63(55(39)70)46-19-21-52(68)59-54(46)69;1-24-20-26(49-50-31-11-6-8-27-29(31)23-52(40(27)54)32-13-12-25(2)47-39(32)53)21-33(55-4)37(24)56-19-7-16-46-41(3)14-17-51(18-15-41)34-22-45-36(38(44)48-34)28-9-5-10-30(42)35(28)43/h8-9,12,15-17,19,21-25,28,32-34,45,50-51,53H,7,10-11,13-14,18,20,26-27,29-31,35-37H2,1-6H3,(H,63,71)(H,64,70,72);4-5,8,10,12-18,20,24-28,46,67H,6-7,9,11,19,21-23,29-32H2,1-3H3,(H,58,71)(H,59,68,69);5-6,8-11,20-22,32,46H,2,7,12-19,23H2,1,3-4H3,(H2,44,48)(H,47,53)/b66-65+;20-18+,61-60+;50-49+/t45-,50?,51-,53+;;/m0../s1.
What are the key properties of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate?
4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate has a molecular weight of 2942.59 g/mol, XLogP of 26.18, 57 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]-4-oxopentyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(4-methoxy-3,5-dimethylphenyl)butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 164970958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).