3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane

C165H221Cl3FN37O25S2 — CID 157101436

IUPAC3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane
SMILESC.C.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C43H57ClN8O7.C43H55FN8O8.C39H53ClN10O4S.C38H48ClN11O6S.2CH4/c1-51-38(24-28-7-8-28)33(26-47-51)41-35(44)13-15-39(49-41)48-30-11-9-29(10-12-30)46-25-31(53)4-3-18-57-20-22-59-23-21-58-19-17-45-36-6-2-5-32-34(36)27-52(43(32)56)37-14-16-40(54)50-42(37)55;1-51-36(24-27-7-8-27)32(26-47-51)40-33(44)13-15-37(49-40)48-29-11-9-28(10-12-29)46-25-30(53)4-3-18-58-20-22-60-23-21-59-19-17-45-34-6-2-5-31-39(34)43(57)52(42(31)56)35-14-16-38(54)50-41(35)55;1-49-32(17-24-7-8-24)29(20-45-49)35-30(40)21-44-39(48-35)46-27-11-9-26(10-12-27)42-16-6-4-2-3-5-15-41-22-34(52)43-19-28-18-25-23-50(38(54)36(25)55-28)31-13-14-33(51)47-37(31)53;1-49-28(14-21-4-5-21)24(15-45-49)34-26(39)16-44-38(48-34)46-23-8-6-22(7-9-23)42-19-32(53)41-13-3-2-12-40-18-31(52)43-17-29-33-25(20-57-29)36(55)50(37(33)56)27-10-11-30(51)47-35(27)54;;/h2,5-6,13,15,26,28-30,37,45-46H,3-4,7-12,14,16-25,27H2,1H3,(H,48,49)(H,50,54,55);2,5-6,13,15,26-29,35,45-46H,3-4,7-12,14,16-25H2,1H3,(H,48,49)(H,50,54,55);18,20-21,24,26-27,31,41-42H,2-17,19,22-23H2,1H3,(H,43,52)(H,44,46,48)(H,47,51,53);15-16,20-23,27,40,42H,2-14,17-19H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);2*1H4
InChIKeyAFUPWYNJRWLNNG-UHFFFAOYSA-N
MW3312.31 g/mol
LogP16.28
Rot. Bonds83

About 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane

3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane (PubChem CID 157101436) has the molecular formula C165H221Cl3FN37O25S2 and a molecular weight of 3312.31 g/mol. Its IUPAC name is 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane.

Molecular Properties

Compound Name3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane
PubChem CID157101436
Molecular FormulaC165H221Cl3FN37O25S2
Molecular Weight3312.31 g/mol
Exact Mass3308.57
IUPAC Name3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane
SMILESC.C.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C43H57ClN8O7.C43H55FN8O8.C39H53ClN10O4S.C38H48ClN11O6S.2CH4/c1-51-38(24-28-7-8-28)33(26-47-51)41-35(44)13-15-39(49-41)48-30-11-9-29(10-12-30)46-25-31(53)4-3-18-57-20-22-59-23-21-58-19-17-45-36-6-2-5-32-34(36)27-52(43(32)56)37-14-16-40(54)50-42(37)55;1-51-36(24-27-7-8-27)32(26-47-51)40-33(44)13-15-37(49-40)48-29-11-9-28(10-12-29)46-25-30(53)4-3-18-58-20-22-60-23-21-59-19-17-45-34-6-2-5-31-39(34)43(57)52(42(31)56)35-14-16-38(54)50-41(35)55;1-49-32(17-24-7-8-24)29(20-45-49)35-30(40)21-44-39(48-35)46-27-11-9-26(10-12-27)42-16-6-4-2-3-5-15-41-22-34(52)43-19-28-18-25-23-50(38(54)36(25)55-28)31-13-14-33(51)47-37(31)53;1-49-28(14-21-4-5-21)24(15-45-49)34-26(39)16-44-38(48-34)46-23-8-6-22(7-9-23)42-19-32(53)41-13-3-2-12-40-18-31(52)43-17-29-33-25(20-57-29)36(55)50(37(33)56)27-10-11-30(51)47-35(27)54;;/h2,5-6,13,15,26,28-30,37,45-46H,3-4,7-12,14,16-25,27H2,1H3,(H,48,49)(H,50,54,55);2,5-6,13,15,26-29,35,45-46H,3-4,7-12,14,16-25H2,1H3,(H,48,49)(H,50,54,55);18,20-21,24,26-27,31,41-42H,2-17,19,22-23H2,1H3,(H,43,52)(H,44,46,48)(H,47,51,53);15-16,20-23,27,40,42H,2-14,17-19H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);2*1H4
InChIKeyAFUPWYNJRWLNNG-UHFFFAOYSA-N
XLogP16.28
TPSA769.86 Ų
H-Bond Donors19
H-Bond Acceptors53
Rotatable Bonds83
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003312.31
LogP ≤ 516.28
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?
The IUPAC name of 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane (CID 157101436) is 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane.
What is the SMILES notation for 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?
The canonical SMILES for 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane is C.C.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ccc2F)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)CCCOCCOCCOCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)ccc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCC(=O)NCCCCNCC(=O)NCc4scc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCCNCC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.
What is the InChIKey of 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?
The InChIKey is AFUPWYNJRWLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57ClN8O7.C43H55FN8O8.C39H53ClN10O4S.C38H48ClN11O6S.2CH4/c1-51-38(24-28-7-8-28)33(26-47-51)41-35(44)13-15-39(49-41)48-30-11-9-29(10-12-30)46-25-31(53)4-3-18-57-20-22-59-23-21-58-19-17-45-36-6-2-5-32-34(36)27-52(43(32)56)37-14-16-40(54)50-42(37)55;1-51-36(24-27-7-8-27)32(26-47-51)40-33(44)13-15-37(49-40)48-29-11-9-28(10-12-29)46-25-30(53)4-3-18-58-20-22-60-23-21-59-19-17-45-34-6-2-5-31-39(34)43(57)52(42(31)56)35-14-16-38(54)50-41(35)55;1-49-32(17-24-7-8-24)29(20-45-49)35-30(40)21-44-39(48-35)46-27-11-9-26(10-12-27)42-16-6-4-2-3-5-15-41-22-34(52)43-19-28-18-25-23-50(38(54)36(25)55-28)31-13-14-33(51)47-37(31)53;1-49-28(14-21-4-5-21)24(15-45-49)34-26(39)16-44-38(48-34)46-23-8-6-22(7-9-23)42-19-32(53)41-13-3-2-12-40-18-31(52)43-17-29-33-25(20-57-29)36(55)50(37(33)56)27-10-11-30(51)47-35(27)54;;/h2,5-6,13,15,26,28-30,37,45-46H,3-4,7-12,14,16-25,27H2,1H3,(H,48,49)(H,50,54,55);2,5-6,13,15,26-29,35,45-46H,3-4,7-12,14,16-25H2,1H3,(H,48,49)(H,50,54,55);18,20-21,24,26-27,31,41-42H,2-17,19,22-23H2,1H3,(H,43,52)(H,44,46,48)(H,47,51,53);15-16,20-23,27,40,42H,2-14,17-19H2,1H3,(H,41,53)(H,43,52)(H,44,46,48)(H,47,51,54);2*1H4.
What are the key properties of 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?
3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane has a molecular weight of 3312.31 g/mol, XLogP of 16.28, 83 rotatable bonds, 19 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-[2-[2-[5-[[4-[[5-chloro-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]butylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]methyl]acetamide;2-[7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptylamino]-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]acetamide;4-[2-[2-[2-[5-[[4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoro-2-pyridinyl]amino]cyclohexyl]amino]-4-oxopentoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane is sourced from PubChem (CID 157101436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).