5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C150H190B3Br3N18O48S — CID 157456691

IUPAC5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccn2c(n1)nc1ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCO)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccn6c(n5)nc5ccccc56)cn4)cc3C2=O)C(=O)N1.O=c1ccc(Br)c[nH]1.OCCOCCOCCOCCOCCOc1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.OCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1.OCCOCCOCCOCCOCCOc1ccc(Br)cn1
InChIInChI=1S/C38H38N6O10.C25H30N4O6.C17H28O8S.C15H26BNO8.C15H24BrNO6.C13H10N2O5.C12H24B2O4.C10H6BrN3.C5H4BrNO/c45-33-9-8-32(35(46)42-33)44-36(47)27-7-6-26(23-28(27)37(44)48)53-21-19-51-17-15-49-13-14-50-16-18-52-20-22-54-34-10-5-25(24-39-34)29-11-12-43-31-4-2-1-3-30(31)41-38(43)40-29;30-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-24-6-5-20(19-26-24)21-7-8-29-23-4-2-1-3-22(23)28-25(29)27-21;1-16-2-4-17(5-3-16)26(19,20)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-18;18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20;16-14-1-2-15(17-13-14)23-12-11-22-10-9-21-8-7-20-6-5-19-4-3-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9;6-4-1-2-5(8)7-3-4/h1-7,10-12,23-24,32H,8-9,13-22H2,(H,42,45,46);1-8,19,30H,9-18H2;2-5,18H,6-15H2,1H3;1-2,13,18-20H,3-12H2;1-2,13,18H,3-12H2;1-2,5,9,16H,3-4H2,(H,14,17,18);1-8H3;1-6H;1-3H,(H,7,8)
InChIKeyBTLBYHBWAPEGTO-UHFFFAOYSA-N
MW3317.46 g/mol
LogP11.32
Rot. Bonds84

About 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157456691) has the molecular formula C150H190B3Br3N18O48S and a molecular weight of 3317.46 g/mol. Its IUPAC name is 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID157456691
Molecular FormulaC150H190B3Br3N18O48S
Molecular Weight3317.46 g/mol
Exact Mass3313.05
IUPAC Name5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccn2c(n1)nc1ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCO)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccn6c(n5)nc5ccccc56)cn4)cc3C2=O)C(=O)N1.O=c1ccc(Br)c[nH]1.OCCOCCOCCOCCOCCOc1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.OCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1.OCCOCCOCCOCCOCCOc1ccc(Br)cn1
InChIInChI=1S/C38H38N6O10.C25H30N4O6.C17H28O8S.C15H26BNO8.C15H24BrNO6.C13H10N2O5.C12H24B2O4.C10H6BrN3.C5H4BrNO/c45-33-9-8-32(35(46)42-33)44-36(47)27-7-6-26(23-28(27)37(44)48)53-21-19-51-17-15-49-13-14-50-16-18-52-20-22-54-34-10-5-25(24-39-34)29-11-12-43-31-4-2-1-3-30(31)41-38(43)40-29;30-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-24-6-5-20(19-26-24)21-7-8-29-23-4-2-1-3-22(23)28-25(29)27-21;1-16-2-4-17(5-3-16)26(19,20)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-18;18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20;16-14-1-2-15(17-13-14)23-12-11-22-10-9-21-8-7-20-6-5-19-4-3-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9;6-4-1-2-5(8)7-3-4/h1-7,10-12,23-24,32H,8-9,13-22H2,(H,42,45,46);1-8,19,30H,9-18H2;2-5,18H,6-15H2,1H3;1-2,13,18-20H,3-12H2;1-2,13,18H,3-12H2;1-2,5,9,16H,3-4H2,(H,14,17,18);1-8H3;1-6H;1-3H,(H,7,8)
InChIKeyBTLBYHBWAPEGTO-UHFFFAOYSA-N
XLogP11.32
TPSA794.74 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds84
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003317.46
LogP ≤ 511.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157456691) is 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccn2c(n1)nc1ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCO)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5ccn6c(n5)nc5ccccc56)cn4)cc3C2=O)C(=O)N1.O=c1ccc(Br)c[nH]1.OCCOCCOCCOCCOCCOc1ccc(-c2ccn3c(n2)nc2ccccc23)cn1.OCCOCCOCCOCCOCCOc1ccc(B(O)O)cn1.OCCOCCOCCOCCOCCOc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is BTLBYHBWAPEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N6O10.C25H30N4O6.C17H28O8S.C15H26BNO8.C15H24BrNO6.C13H10N2O5.C12H24B2O4.C10H6BrN3.C5H4BrNO/c45-33-9-8-32(35(46)42-33)44-36(47)27-7-6-26(23-28(27)37(44)48)53-21-19-51-17-15-49-13-14-50-16-18-52-20-22-54-34-10-5-25(24-39-34)29-11-12-43-31-4-2-1-3-30(31)41-38(43)40-29;30-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-24-6-5-20(19-26-24)21-7-8-29-23-4-2-1-3-22(23)28-25(29)27-21;1-16-2-4-17(5-3-16)26(19,20)25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-18;18-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-15-2-1-14(13-17-15)16(19)20;16-14-1-2-15(17-13-14)23-12-11-22-10-9-21-8-7-20-6-5-19-4-3-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9;6-4-1-2-5(8)7-3-4/h1-7,10-12,23-24,32H,8-9,13-22H2,(H,42,45,46);1-8,19,30H,9-18H2;2-5,18H,6-15H2,1H3;1-2,13,18-20H,3-12H2;1-2,13,18H,3-12H2;1-2,5,9,16H,3-4H2,(H,14,17,18);1-8H3;1-6H;1-3H,(H,7,8).
What are the key properties of 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3317.46 g/mol, XLogP of 11.32, 84 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyridin-2-one;2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-bromopyrimido[1,2-a]benzimidazole;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]boronic acid;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-[2-[2-[2-[2-[(5-pyrimido[1,2-a]benzimidazol-2-yl-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157456691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).