chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol

C162H196Cl3F6N23O42S2 — CID 159638158

IUPACchloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol
SMILESCOC(OC)C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.COCCO.COCCOC(=O)OCCl.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C(OC)OC)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C=O)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3ccc(N4CCC(CN5CCN(c6ccc(-c7ccc8[nH]cc(C(=O)c9c(F)ccc(NS(=O)(=O)N%10CC[C@@H](F)C%10)c9F)c8c7)cc6)CC5)CC4)cc3C2)C1=O.O=C(Cl)OCCl.O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3ccc(N4CCNCC4)cc3)cc12
InChIInChI=1S/C53H59F3N8O9S.C28H27F3N6O3S.C26H35N3O9.C24H29N3O8.C21H27N3O5.C5H9ClO4.C3H8O2.C2H2Cl2O2/c1-71-24-25-72-53(68)73-33-64-48(65)13-12-47(52(64)67)62-30-37-4-8-41(26-38(37)31-62)60-17-14-34(15-18-60)29-59-20-22-61(23-21-59)40-6-2-35(3-7-40)36-5-10-45-42(27-36)43(28-57-45)51(66)49-44(55)9-11-46(50(49)56)58-74(69,70)63-19-16-39(54)32-63;29-19-7-10-37(16-19)41(39,40)35-24-6-5-23(30)25(26(24)31)27(38)22-15-34-28-21(22)13-18(14-33-28)17-1-3-20(4-2-17)36-11-8-32-9-12-36;1-34-12-13-37-26(33)38-16-29-22(30)7-6-21(24(29)32)28-15-18-14-19(4-5-20(18)23(28)31)27-10-8-17(9-11-27)25(35-2)36-3;1-33-10-11-34-24(32)35-15-27-21(29)5-4-20(23(27)31)26-13-17-12-18(2-3-19(17)22(26)30)25-8-6-16(14-28)7-9-25;1-28-21(29-2)13-7-9-23(10-8-13)15-3-4-16-14(11-15)12-24(20(16)27)17-5-6-18(25)22-19(17)26;1-8-2-3-9-5(7)10-4-6;1-5-3-2-4;3-1-6-2(4)5/h2-11,26-28,34,39,47,57-58H,12-25,29-33H2,1H3;1-6,13-15,19,32,35H,7-12,16H2,(H,33,34);4-5,14,17,21,25H,6-13,15-16H2,1-3H3;2-3,12,14,16,20H,4-11,13,15H2,1H3;3-4,11,13,17,21H,5-10,12H2,1-2H3,(H,22,25,26);2-4H2,1H3;4H,2-3H2,1H3;1H2/t39-,47?;19-;;;;;;/m11....../s1
InChIKeyMPZSGGLGNHWBNY-NAYRJMLESA-N
MW3421.95 g/mol
LogP17.06
Rot. Bonds53

About chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol

chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol (PubChem CID 159638158) has the molecular formula C162H196Cl3F6N23O42S2 and a molecular weight of 3421.95 g/mol. Its IUPAC name is chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol.

Molecular Properties

Compound Namechloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol
PubChem CID159638158
Molecular FormulaC162H196Cl3F6N23O42S2
Molecular Weight3421.95 g/mol
Exact Mass3418.23
IUPAC Namechloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol
SMILESCOC(OC)C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.COCCO.COCCOC(=O)OCCl.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C(OC)OC)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C=O)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3ccc(N4CCC(CN5CCN(c6ccc(-c7ccc8[nH]cc(C(=O)c9c(F)ccc(NS(=O)(=O)N%10CC[C@@H](F)C%10)c9F)c8c7)cc6)CC5)CC4)cc3C2)C1=O.O=C(Cl)OCCl.O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3ccc(N4CCNCC4)cc3)cc12
InChIInChI=1S/C53H59F3N8O9S.C28H27F3N6O3S.C26H35N3O9.C24H29N3O8.C21H27N3O5.C5H9ClO4.C3H8O2.C2H2Cl2O2/c1-71-24-25-72-53(68)73-33-64-48(65)13-12-47(52(64)67)62-30-37-4-8-41(26-38(37)31-62)60-17-14-34(15-18-60)29-59-20-22-61(23-21-59)40-6-2-35(3-7-40)36-5-10-45-42(27-36)43(28-57-45)51(66)49-44(55)9-11-46(50(49)56)58-74(69,70)63-19-16-39(54)32-63;29-19-7-10-37(16-19)41(39,40)35-24-6-5-23(30)25(26(24)31)27(38)22-15-34-28-21(22)13-18(14-33-28)17-1-3-20(4-2-17)36-11-8-32-9-12-36;1-34-12-13-37-26(33)38-16-29-22(30)7-6-21(24(29)32)28-15-18-14-19(4-5-20(18)23(28)31)27-10-8-17(9-11-27)25(35-2)36-3;1-33-10-11-34-24(32)35-15-27-21(29)5-4-20(23(27)31)26-13-17-12-18(2-3-19(17)22(26)30)25-8-6-16(14-28)7-9-25;1-28-21(29-2)13-7-9-23(10-8-13)15-3-4-16-14(11-15)12-24(20(16)27)17-5-6-18(25)22-19(17)26;1-8-2-3-9-5(7)10-4-6;1-5-3-2-4;3-1-6-2(4)5/h2-11,26-28,34,39,47,57-58H,12-25,29-33H2,1H3;1-6,13-15,19,32,35H,7-12,16H2,(H,33,34);4-5,14,17,21,25H,6-13,15-16H2,1-3H3;2-3,12,14,16,20H,4-11,13,15H2,1H3;3-4,11,13,17,21H,5-10,12H2,1-2H3,(H,22,25,26);2-4H2,1H3;4H,2-3H2,1H3;1H2/t39-,47?;19-;;;;;;/m11....../s1
InChIKeyMPZSGGLGNHWBNY-NAYRJMLESA-N
XLogP17.06
TPSA723.41 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds53
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003421.95
LogP ≤ 517.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol?
The IUPAC name of chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol (CID 159638158) is chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol.
What is the SMILES notation for chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol?
The canonical SMILES for chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol is COC(OC)C1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.COCCO.COCCOC(=O)OCCl.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C(OC)OC)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3cc(N4CCC(C=O)CC4)ccc3C2=O)C1=O.COCCOC(=O)OCN1C(=O)CCC(N2Cc3ccc(N4CCC(CN5CCN(c6ccc(-c7ccc8[nH]cc(C(=O)c9c(F)ccc(NS(=O)(=O)N%10CC[C@@H](F)C%10)c9F)c8c7)cc6)CC5)CC4)cc3C2)C1=O.O=C(Cl)OCCl.O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncc(-c3ccc(N4CCNCC4)cc3)cc12.
What is the InChIKey of chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol?
The InChIKey is MPZSGGLGNHWBNY-NAYRJMLESA-N. The full InChI is InChI=1S/C53H59F3N8O9S.C28H27F3N6O3S.C26H35N3O9.C24H29N3O8.C21H27N3O5.C5H9ClO4.C3H8O2.C2H2Cl2O2/c1-71-24-25-72-53(68)73-33-64-48(65)13-12-47(52(64)67)62-30-37-4-8-41(26-38(37)31-62)60-17-14-34(15-18-60)29-59-20-22-61(23-21-59)40-6-2-35(3-7-40)36-5-10-45-42(27-36)43(28-57-45)51(66)49-44(55)9-11-46(50(49)56)58-74(69,70)63-19-16-39(54)32-63;29-19-7-10-37(16-19)41(39,40)35-24-6-5-23(30)25(26(24)31)27(38)22-15-34-28-21(22)13-18(14-33-28)17-1-3-20(4-2-17)36-11-8-32-9-12-36;1-34-12-13-37-26(33)38-16-29-22(30)7-6-21(24(29)32)28-15-18-14-19(4-5-20(18)23(28)31)27-10-8-17(9-11-27)25(35-2)36-3;1-33-10-11-34-24(32)35-15-27-21(29)5-4-20(23(27)31)26-13-17-12-18(2-3-19(17)22(26)30)25-8-6-16(14-28)7-9-25;1-28-21(29-2)13-7-9-23(10-8-13)15-3-4-16-14(11-15)12-24(20(16)27)17-5-6-18(25)22-19(17)26;1-8-2-3-9-5(7)10-4-6;1-5-3-2-4;3-1-6-2(4)5/h2-11,26-28,34,39,47,57-58H,12-25,29-33H2,1H3;1-6,13-15,19,32,35H,7-12,16H2,(H,33,34);4-5,14,17,21,25H,6-13,15-16H2,1-3H3;2-3,12,14,16,20H,4-11,13,15H2,1H3;3-4,11,13,17,21H,5-10,12H2,1-2H3,(H,22,25,26);2-4H2,1H3;4H,2-3H2,1H3;1H2/t39-,47?;19-;;;;;;/m11....../s1.
What are the key properties of chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol?
chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol has a molecular weight of 3421.95 g/mol, XLogP of 17.06, 53 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl carbonochloridate;chloromethyl 2-methoxyethyl carbonate;[3-[5-[4-[[4-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonylamino]benzoyl]-1H-indol-5-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-1,3-dihydroisoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;(3R)-N-[2,4-difluoro-3-[5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluoropyrrolidine-1-sulfonamide;[3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[3-[6-(4-formylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate;2-methoxyethanol is sourced from PubChem (CID 159638158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).