3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

C152H177F6N31O24 — CID 165098819

IUPAC3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(NC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCC(c3ccc(OC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCN(c3c(F)cc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(F)c1CN1CCN(C(=O)CN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C39H43F4N7O5.C38H46N8O6.C38H45N7O7.C37H43F2N9O6/c1-47-20-29(27-18-44-19-28(27)38(47)54)24-15-32(40)30(34(16-24)55-2)21-49-11-13-50(14-12-49)36(52)22-48-9-7-23(8-10-48)26-4-3-25(17-31(26)39(41,42)43)45-33-5-6-35(51)46-37(33)53;1-44-21-29(28-20-39-43-35(28)37(44)49)25-18-32(51-2)30(33(19-25)52-3)22-45-14-12-27(13-15-45)41-38(50)46-16-10-24(11-17-46)23-4-6-26(7-5-23)40-31-8-9-34(47)42-36(31)48;1-42-21-29(28-20-39-41-36(28)38(42)49)26-18-32(50-2)30(33(19-26)51-3)22-44-14-16-45(17-15-44)35(47)23-43-12-10-25(11-13-43)24-4-6-27(7-5-24)52-31-8-9-34(46)40-37(31)48;1-44-19-25(24-18-40-43-34(24)37(44)52)22-14-30(53-2)26(31(15-22)54-3)20-45-6-10-47(11-7-45)33(50)21-46-8-12-48(13-9-46)35-27(38)16-23(17-28(35)39)41-29-4-5-32(49)42-36(29)51/h3-4,15-18,20,23,33,45H,5-14,19,21-22H2,1-2H3,(H,46,51,53);4-7,18-21,24,27,31,40H,8-17,22H2,1-3H3,(H,39,43)(H,41,50)(H,42,47,48);4-7,18-21,25,31H,8-17,22-23H2,1-3H3,(H,39,41)(H,40,46,48);14-19,29,41H,4-13,20-21H2,1-3H3,(H,40,43)(H,42,49,51)
InChIKeyXYZSFSDVLWGGEG-UHFFFAOYSA-N
MW2936.27 g/mol
LogP12.17
Rot. Bonds38

About 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 165098819) has the molecular formula C152H177F6N31O24 and a molecular weight of 2936.27 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
PubChem CID165098819
Molecular FormulaC152H177F6N31O24
Molecular Weight2936.27 g/mol
Exact Mass2934.35
IUPAC Name3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(NC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCC(c3ccc(OC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCN(c3c(F)cc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(F)c1CN1CCN(C(=O)CN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C39H43F4N7O5.C38H46N8O6.C38H45N7O7.C37H43F2N9O6/c1-47-20-29(27-18-44-19-28(27)38(47)54)24-15-32(40)30(34(16-24)55-2)21-49-11-13-50(14-12-49)36(52)22-48-9-7-23(8-10-48)26-4-3-25(17-31(26)39(41,42)43)45-33-5-6-35(51)46-37(33)53;1-44-21-29(28-20-39-43-35(28)37(44)49)25-18-32(51-2)30(33(19-25)52-3)22-45-14-12-27(13-15-45)41-38(50)46-16-10-24(11-17-46)23-4-6-26(7-5-23)40-31-8-9-34(47)42-36(31)48;1-42-21-29(28-20-39-41-36(28)38(42)49)26-18-32(50-2)30(33(19-26)51-3)22-44-14-16-45(17-15-44)35(47)23-43-12-10-25(11-13-43)24-4-6-27(7-5-24)52-31-8-9-34(46)40-37(31)48;1-44-19-25(24-18-40-43-34(24)37(44)52)22-14-30(53-2)26(31(15-22)54-3)20-45-6-10-47(11-7-45)33(50)21-46-8-12-48(13-9-46)35-27(38)16-23(17-28(35)39)41-29-4-5-32(49)42-36(29)51/h3-4,15-18,20,23,33,45H,5-14,19,21-22H2,1-2H3,(H,46,51,53);4-7,18-21,24,27,31,40H,8-17,22H2,1-3H3,(H,39,43)(H,41,50)(H,42,47,48);4-7,18-21,25,31H,8-17,22-23H2,1-3H3,(H,39,41)(H,40,46,48);14-19,29,41H,4-13,20-21H2,1-3H3,(H,40,43)(H,42,49,51)
InChIKeyXYZSFSDVLWGGEG-UHFFFAOYSA-N
XLogP12.17
TPSA600.20 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002936.27
LogP ≤ 512.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 165098819) is 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(NC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCC(c3ccc(OC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CN2CCN(c3c(F)cc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(F)c1CN1CCN(C(=O)CN2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)CC1.
What is the InChIKey of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
The InChIKey is XYZSFSDVLWGGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43F4N7O5.C38H46N8O6.C38H45N7O7.C37H43F2N9O6/c1-47-20-29(27-18-44-19-28(27)38(47)54)24-15-32(40)30(34(16-24)55-2)21-49-11-13-50(14-12-49)36(52)22-48-9-7-23(8-10-48)26-4-3-25(17-31(26)39(41,42)43)45-33-5-6-35(51)46-37(33)53;1-44-21-29(28-20-39-43-35(28)37(44)49)25-18-32(51-2)30(33(19-25)52-3)22-45-14-12-27(13-15-45)41-38(50)46-16-10-24(11-17-46)23-4-6-26(7-5-23)40-31-8-9-34(47)42-36(31)48;1-42-21-29(28-20-39-41-36(28)38(42)49)26-18-32(50-2)30(33(19-26)51-3)22-44-14-16-45(17-15-44)35(47)23-43-12-10-25(11-13-43)24-4-6-27(7-5-24)52-31-8-9-34(46)40-37(31)48;1-44-19-25(24-18-40-43-34(24)37(44)52)22-14-30(53-2)26(31(15-22)54-3)20-45-6-10-47(11-7-45)33(50)21-46-8-12-48(13-9-46)35-27(38)16-23(17-28(35)39)41-29-4-5-32(49)42-36(29)51/h3-4,15-18,20,23,33,45H,5-14,19,21-22H2,1-2H3,(H,46,51,53);4-7,18-21,24,27,31,40H,8-17,22H2,1-3H3,(H,39,43)(H,41,50)(H,42,47,48);4-7,18-21,25,31H,8-17,22-23H2,1-3H3,(H,39,41)(H,40,46,48);14-19,29,41H,4-13,20-21H2,1-3H3,(H,40,43)(H,42,49,51).
What are the key properties of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?
3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 2936.27 g/mol, XLogP of 12.17, 38 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione;3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]phenoxy]piperidine-2,6-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 165098819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).