4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione

C180H221BrCl2N34O37S — CID 159366877

IUPAC4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)N1Cc2cn(CCCCO)nc2C1.CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCO)nc3C2)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3C2)nc1.Cc1ccc(S(=O)(=O)OCCCCn2cc3c(n2)CN(c2ccc(C(=O)OC(C)(C)C)cn2)C3)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCCCn4cc5c(n4)CN(c4ccc(C(=O)O)cn4)C5)cc3C2=O)C(=O)N1.OCCCCBr.OCCCCn1cc2c(n1)CNC2.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl
InChIInChI=1S/C32H34N6O7.C28H26N6O7.C26H32N4O5S.C19H26N4O3.C15H19ClN2O.C14H23N3O3.C13H10N2O5.C10H12ClNO2.C10H15N3O2.C9H15N3O.C4H9BrO/c1-32(2,3)45-31(43)19-6-10-26(33-15-19)36-16-20-17-37(35-24(20)18-36)12-4-5-13-44-21-7-8-22-23(14-21)30(42)38(29(22)41)25-9-11-27(39)34-28(25)40;35-24-8-6-22(25(36)30-24)34-26(37)19-5-4-18(11-20(19)27(34)38)41-10-2-1-9-33-14-17-13-32(15-21(17)31-33)23-7-3-16(12-29-23)28(39)40;1-19-7-10-22(11-8-19)36(32,33)34-14-6-5-13-30-17-21-16-29(18-23(21)28-30)24-12-9-20(15-27-24)25(31)35-26(2,3)4;1-19(2,3)26-18(25)14-6-7-17(20-10-14)22-11-15-12-23(8-4-5-9-24)21-16(15)13-22;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;1-14(2,3)20-13(19)16-8-11-9-17(6-4-5-7-18)15-12(11)10-16;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;13-4-2-1-3-12-7-8-5-10-6-9(8)11-12;5-3-1-2-4-6/h6-8,10,14-15,17,25H,4-5,9,11-13,16,18H2,1-3H3,(H,34,39,40);3-5,7,11-12,14,22H,1-2,6,8-10,13,15H2,(H,39,40)(H,30,35,36);7-12,15,17H,5-6,13-14,16,18H2,1-4H3;6-7,10,12,24H,4-5,8-9,11,13H2,1-3H3;6-8,12-13H,17H2,1-4H3;9,18H,4-8,10H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;4H,5-6H2,1-3H3,(H,11,12);7,10,13H,1-6H2;6H,1-4H2
InChIKeyLJFYADLIUONUSZ-UHFFFAOYSA-N
MW3635.83 g/mol
LogP23.04
Rot. Bonds48

About 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione

4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione (PubChem CID 159366877) has the molecular formula C180H221BrCl2N34O37S and a molecular weight of 3635.83 g/mol. Its IUPAC name is 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione
PubChem CID159366877
Molecular FormulaC180H221BrCl2N34O37S
Molecular Weight3635.83 g/mol
Exact Mass3631.47
IUPAC Name4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)N1Cc2cn(CCCCO)nc2C1.CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCO)nc3C2)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3C2)nc1.Cc1ccc(S(=O)(=O)OCCCCn2cc3c(n2)CN(c2ccc(C(=O)OC(C)(C)C)cn2)C3)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCCCn4cc5c(n4)CN(c4ccc(C(=O)O)cn4)C5)cc3C2=O)C(=O)N1.OCCCCBr.OCCCCn1cc2c(n1)CNC2.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl
InChIInChI=1S/C32H34N6O7.C28H26N6O7.C26H32N4O5S.C19H26N4O3.C15H19ClN2O.C14H23N3O3.C13H10N2O5.C10H12ClNO2.C10H15N3O2.C9H15N3O.C4H9BrO/c1-32(2,3)45-31(43)19-6-10-26(33-15-19)36-16-20-17-37(35-24(20)18-36)12-4-5-13-44-21-7-8-22-23(14-21)30(42)38(29(22)41)25-9-11-27(39)34-28(25)40;35-24-8-6-22(25(36)30-24)34-26(37)19-5-4-18(11-20(19)27(34)38)41-10-2-1-9-33-14-17-13-32(15-21(17)31-33)23-7-3-16(12-29-23)28(39)40;1-19-7-10-22(11-8-19)36(32,33)34-14-6-5-13-30-17-21-16-29(18-23(21)28-30)24-12-9-20(15-27-24)25(31)35-26(2,3)4;1-19(2,3)26-18(25)14-6-7-17(20-10-14)22-11-15-12-23(8-4-5-9-24)21-16(15)13-22;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;1-14(2,3)20-13(19)16-8-11-9-17(6-4-5-7-18)15-12(11)10-16;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;13-4-2-1-3-12-7-8-5-10-6-9(8)11-12;5-3-1-2-4-6/h6-8,10,14-15,17,25H,4-5,9,11-13,16,18H2,1-3H3,(H,34,39,40);3-5,7,11-12,14,22H,1-2,6,8-10,13,15H2,(H,39,40)(H,30,35,36);7-12,15,17H,5-6,13-14,16,18H2,1-4H3;6-7,10,12,24H,4-5,8-9,11,13H2,1-3H3;6-8,12-13H,17H2,1-4H3;9,18H,4-8,10H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;4H,5-6H2,1-3H3,(H,11,12);7,10,13H,1-6H2;6H,1-4H2
InChIKeyLJFYADLIUONUSZ-UHFFFAOYSA-N
XLogP23.04
TPSA879.86 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds48
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003635.83
LogP ≤ 523.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione?
The IUPAC name of 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione (CID 159366877) is 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione?
The canonical SMILES for 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione is CC(C)(C)OC(=O)N1Cc2cn(CCCCO)nc2C1.CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCO)nc3C2)nc1.CC(C)(C)OC(=O)c1ccc(N2Cc3cn(CCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3C2)nc1.Cc1ccc(S(=O)(=O)OCCCCn2cc3c(n2)CN(c2ccc(C(=O)OC(C)(C)C)cn2)C3)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCCCn4cc5c(n4)CN(c4ccc(C(=O)O)cn4)C5)cc3C2=O)C(=O)N1.OCCCCBr.OCCCCn1cc2c(n1)CNC2.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl.
What is the InChIKey of 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione?
The InChIKey is LJFYADLIUONUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O7.C28H26N6O7.C26H32N4O5S.C19H26N4O3.C15H19ClN2O.C14H23N3O3.C13H10N2O5.C10H12ClNO2.C10H15N3O2.C9H15N3O.C4H9BrO/c1-32(2,3)45-31(43)19-6-10-26(33-15-19)36-16-20-17-37(35-24(20)18-36)12-4-5-13-44-21-7-8-22-23(14-21)30(42)38(29(22)41)25-9-11-27(39)34-28(25)40;35-24-8-6-22(25(36)30-24)34-26(37)19-5-4-18(11-20(19)27(34)38)41-10-2-1-9-33-14-17-13-32(15-21(17)31-33)23-7-3-16(12-29-23)28(39)40;1-19-7-10-22(11-8-19)36(32,33)34-14-6-5-13-30-17-21-16-29(18-23(21)28-30)24-12-9-20(15-27-24)25(31)35-26(2,3)4;1-19(2,3)26-18(25)14-6-7-17(20-10-14)22-11-15-12-23(8-4-5-9-24)21-16(15)13-22;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;1-14(2,3)20-13(19)16-8-11-9-17(6-4-5-7-18)15-12(11)10-16;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;13-4-2-1-3-12-7-8-5-10-6-9(8)11-12;5-3-1-2-4-6/h6-8,10,14-15,17,25H,4-5,9,11-13,16,18H2,1-3H3,(H,34,39,40);3-5,7,11-12,14,22H,1-2,6,8-10,13,15H2,(H,39,40)(H,30,35,36);7-12,15,17H,5-6,13-14,16,18H2,1-4H3;6-7,10,12,24H,4-5,8-9,11,13H2,1-3H3;6-8,12-13H,17H2,1-4H3;9,18H,4-8,10H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;4H,5-6H2,1-3H3,(H,11,12);7,10,13H,1-6H2;6H,1-4H2.
What are the key properties of 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione?
4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione has a molecular weight of 3635.83 g/mol, XLogP of 23.04, 48 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutan-1-ol;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 6-[2-(4-hydroxybutyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;tert-butyl 6-[2-[4-(4-methylphenyl)sulfonyloxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)butan-1-ol;6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-3-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 159366877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).