2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C182H212F8N36O25 — CID 167592736

IUPAC2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC=C1CCC(N2C(=O)c3cccc(CN4CCC(N(C)CC5CCC(n6cc(NC(=O)c7coc(-c8ccnc(CCC9CC9)c8)n7)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1.C=C1c2cccc(NCCCCOC3CCN(CC4CCC(n5cc(NC(=O)c6coc(-c7ccnc(NCC8CC8)c7)n6)c(C(F)F)n5)CC4)CC3)c2C(=O)N1C1CCC(=O)NC1=O.CN(CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1.CN(CCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1
InChIInChI=1S/C47H56F2N10O6.C46H53F2N9O5.C45H52F2N8O7.C44H51F2N9O7/c1-28-34-5-4-6-35(41(34)47(63)59(28)38-13-14-40(60)55-45(38)62)50-18-2-3-22-64-33-16-20-57(21-17-33)25-30-9-11-32(12-10-30)58-26-36(42(56-58)43(48)49)53-44(61)37-27-65-46(54-37)31-15-19-51-39(23-31)52-24-29-7-8-29;1-27-6-15-38(43(59)50-27)57-45(60)35-5-3-4-31(39(35)46(57)61)24-55-20-17-33(18-21-55)54(2)23-29-10-13-34(14-11-29)56-25-36(40(53-56)41(47)48)51-42(58)37-26-62-44(52-37)30-16-19-49-32(22-30)12-9-28-7-8-28;1-53(20-4-22-61-21-3-6-29-5-2-7-33-38(29)45(60)55(44(33)59)36-16-17-37(56)51-42(36)58)24-28-11-14-32(15-12-28)54-25-34(39(52-54)40(46)47)49-41(57)35-26-62-43(50-35)30-18-19-48-31(23-30)13-10-27-8-9-27;1-53(19-3-20-61-21-18-48-32-5-2-4-31-37(32)44(60)55(43(31)59)35-14-15-36(56)51-41(35)58)23-27-9-12-30(13-10-27)54-24-33(38(52-54)39(45)46)49-40(57)34-25-62-42(50-34)28-16-17-47-29(22-28)11-8-26-6-7-26/h4-6,15,19,23,26-27,29-30,32-33,38,43,50H,1-3,7-14,16-18,20-22,24-25H2,(H,51,52)(H,53,61)(H,55,60,62);3-5,16,19,22,25-26,28-29,33-34,38,41H,1,6-15,17-18,20-21,23-24H2,2H3,(H,50,59)(H,51,58);2,5,7,18-19,23,25-28,32,36,40H,3-4,6,8-17,20-22,24H2,1H3,(H,49,57)(H,51,56,58);2,4-5,16-17,22,24-27,30,35,39,48H,3,6-15,18-21,23H2,1H3,(H,49,57)(H,51,56,58)
InChIKeyIQGYKNSDTKJYLB-UHFFFAOYSA-N
MW3455.91 g/mol
LogP27.08
Rot. Bonds70

About 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 167592736) has the molecular formula C182H212F8N36O25 and a molecular weight of 3455.91 g/mol. Its IUPAC name is 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID167592736
Molecular FormulaC182H212F8N36O25
Molecular Weight3455.91 g/mol
Exact Mass3453.63
IUPAC Name2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC=C1CCC(N2C(=O)c3cccc(CN4CCC(N(C)CC5CCC(n6cc(NC(=O)c7coc(-c8ccnc(CCC9CC9)c8)n7)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1.C=C1c2cccc(NCCCCOC3CCN(CC4CCC(n5cc(NC(=O)c6coc(-c7ccnc(NCC8CC8)c7)n6)c(C(F)F)n5)CC4)CC3)c2C(=O)N1C1CCC(=O)NC1=O.CN(CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1.CN(CCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1
InChIInChI=1S/C47H56F2N10O6.C46H53F2N9O5.C45H52F2N8O7.C44H51F2N9O7/c1-28-34-5-4-6-35(41(34)47(63)59(28)38-13-14-40(60)55-45(38)62)50-18-2-3-22-64-33-16-20-57(21-17-33)25-30-9-11-32(12-10-30)58-26-36(42(56-58)43(48)49)53-44(61)37-27-65-46(54-37)31-15-19-51-39(23-31)52-24-29-7-8-29;1-27-6-15-38(43(59)50-27)57-45(60)35-5-3-4-31(39(35)46(57)61)24-55-20-17-33(18-21-55)54(2)23-29-10-13-34(14-11-29)56-25-36(40(53-56)41(47)48)51-42(58)37-26-62-44(52-37)30-16-19-49-32(22-30)12-9-28-7-8-28;1-53(20-4-22-61-21-3-6-29-5-2-7-33-38(29)45(60)55(44(33)59)36-16-17-37(56)51-42(36)58)24-28-11-14-32(15-12-28)54-25-34(39(52-54)40(46)47)49-41(57)35-26-62-43(50-35)30-18-19-48-31(23-30)13-10-27-8-9-27;1-53(19-3-20-61-21-18-48-32-5-2-4-31-37(32)44(60)55(43(31)59)35-14-15-36(56)51-41(35)58)23-27-9-12-30(13-10-27)54-24-33(38(52-54)39(45)46)49-40(57)34-25-62-42(50-34)28-16-17-47-29(22-28)11-8-26-6-7-26/h4-6,15,19,23,26-27,29-30,32-33,38,43,50H,1-3,7-14,16-18,20-22,24-25H2,(H,51,52)(H,53,61)(H,55,60,62);3-5,16,19,22,25-26,28-29,33-34,38,41H,1,6-15,17-18,20-21,23-24H2,2H3,(H,50,59)(H,51,58);2,5,7,18-19,23,25-28,32,36,40H,3-4,6,8-17,20-22,24H2,1H3,(H,49,57)(H,51,56,58);2,4-5,16-17,22,24-27,30,35,39,48H,3,6-15,18-21,23H2,1H3,(H,49,57)(H,51,56,58)
InChIKeyIQGYKNSDTKJYLB-UHFFFAOYSA-N
XLogP27.08
TPSA723.40 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds70
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003455.91
LogP ≤ 527.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 167592736) is 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is C=C1CCC(N2C(=O)c3cccc(CN4CCC(N(C)CC5CCC(n6cc(NC(=O)c7coc(-c8ccnc(CCC9CC9)c8)n7)c(C(F)F)n6)CC5)CC4)c3C2=O)C(=O)N1.C=C1c2cccc(NCCCCOC3CCN(CC4CCC(n5cc(NC(=O)c6coc(-c7ccnc(NCC8CC8)c7)n6)c(C(F)F)n5)CC4)CC3)c2C(=O)N1C1CCC(=O)NC1=O.CN(CCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1.CN(CCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(CCC5CC5)c4)n3)c(C(F)F)n2)CC1.
What is the InChIKey of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is IQGYKNSDTKJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56F2N10O6.C46H53F2N9O5.C45H52F2N8O7.C44H51F2N9O7/c1-28-34-5-4-6-35(41(34)47(63)59(28)38-13-14-40(60)55-45(38)62)50-18-2-3-22-64-33-16-20-57(21-17-33)25-30-9-11-32(12-10-30)58-26-36(42(56-58)43(48)49)53-44(61)37-27-65-46(54-37)31-15-19-51-39(23-31)52-24-29-7-8-29;1-27-6-15-38(43(59)50-27)57-45(60)35-5-3-4-31(39(35)46(57)61)24-55-20-17-33(18-21-55)54(2)23-29-10-13-34(14-11-29)56-25-36(40(53-56)41(47)48)51-42(58)37-26-62-44(52-37)30-16-19-49-32(22-30)12-9-28-7-8-28;1-53(20-4-22-61-21-3-6-29-5-2-7-33-38(29)45(60)55(44(33)59)36-16-17-37(56)51-42(36)58)24-28-11-14-32(15-12-28)54-25-34(39(52-54)40(46)47)49-41(57)35-26-62-43(50-35)30-18-19-48-31(23-30)13-10-27-8-9-27;1-53(19-3-20-61-21-18-48-32-5-2-4-31-37(32)44(60)55(43(31)59)35-14-15-36(56)51-41(35)58)23-27-9-12-30(13-10-27)54-24-33(38(52-54)39(45)46)49-40(57)34-25-62-42(50-34)28-16-17-47-29(22-28)11-8-26-6-7-26/h4-6,15,19,23,26-27,29-30,32-33,38,43,50H,1-3,7-14,16-18,20-22,24-25H2,(H,51,52)(H,53,61)(H,55,60,62);3-5,16,19,22,25-26,28-29,33-34,38,41H,1,6-15,17-18,20-21,23-24H2,2H3,(H,50,59)(H,51,58);2,5,7,18-19,23,25-28,32,36,40H,3-4,6,8-17,20-22,24H2,1H3,(H,49,57)(H,51,56,58);2,4-5,16-17,22,24-27,30,35,39,48H,3,6-15,18-21,23H2,1H3,(H,49,57)(H,51,56,58).
What are the key properties of 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 3455.91 g/mol, XLogP of 27.08, 70 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(2-cyclopropylethyl)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[methyl-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]amino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]amino]butoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167592736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).