3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one

C131H176BrCl5N16O23S2 — CID 159415833

IUPAC3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)OC(=O)N1C[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(N4CCC(OCCC5C6(CC6)C56CC6)C4=O)nc3Cl)n2)C1.O=C(O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.O=C1NCCC1Br.O=C1NCCC1OCCC1C2(CC2)C12CC2.OCCC1C2(CC2)C12CC2
InChIInChI=1S/C34H44ClN5O5S.C23H29ClN2O4.C19H21ClN2O4.C19H32N4O4S.C13H19NO2.C10H11Cl2NO2.C9H14O.C4H6BrNO/c1-32(2)13-10-22(21-32)5-4-18-36-26-6-3-7-28(37-26)46(43,44)39-30(41)23-8-9-27(38-29(23)35)40-19-11-24(31(40)42)45-20-12-25-33(14-15-33)34(25)16-17-34;1-21(2,3)30-20(28)14-4-5-17(25-18(14)24)26-12-6-15(19(26)27)29-13-7-16-22(8-9-22)23(16)10-11-23;20-15-11(17(24)25)1-2-14(21-15)22-9-3-12(16(22)23)26-10-4-13-18(5-6-18)19(13)7-8-19;1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;15-11-9(1-7-14-11)16-8-2-10-12(3-4-12)13(10)5-6-13;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;10-6-1-7-8(2-3-8)9(7)4-5-9;5-3-1-2-6-4(3)7/h3,6-9,22,24-25H,4-5,10-21H2,1-2H3,(H,36,37)(H,39,41);4-5,15-16H,6-13H2,1-3H3;1-2,12-13H,3-10H2,(H,24,25);6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);9-10H,1-8H2,(H,14,15);4-5H,1-3H3;7,10H,1-6H2;3H,1-2H2,(H,6,7)/t22-,24?;;;14-;;;;/m1..0..../s1
InChIKeyLPDMLJYAKLVORS-SQWKATTMSA-N
MW2664.24 g/mol
LogP23.10
Rot. Bonds38

About 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one

3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one (PubChem CID 159415833) has the molecular formula C131H176BrCl5N16O23S2 and a molecular weight of 2664.24 g/mol. Its IUPAC name is 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one
PubChem CID159415833
Molecular FormulaC131H176BrCl5N16O23S2
Molecular Weight2664.24 g/mol
Exact Mass2659.02
IUPAC Name3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)OC(=O)N1C[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(N4CCC(OCCC5C6(CC6)C56CC6)C4=O)nc3Cl)n2)C1.O=C(O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.O=C1NCCC1Br.O=C1NCCC1OCCC1C2(CC2)C12CC2.OCCC1C2(CC2)C12CC2
InChIInChI=1S/C34H44ClN5O5S.C23H29ClN2O4.C19H21ClN2O4.C19H32N4O4S.C13H19NO2.C10H11Cl2NO2.C9H14O.C4H6BrNO/c1-32(2)13-10-22(21-32)5-4-18-36-26-6-3-7-28(37-26)46(43,44)39-30(41)23-8-9-27(38-29(23)35)40-19-11-24(31(40)42)45-20-12-25-33(14-15-33)34(25)16-17-34;1-21(2,3)30-20(28)14-4-5-17(25-18(14)24)26-12-6-15(19(26)27)29-13-7-16-22(8-9-22)23(16)10-11-23;20-15-11(17(24)25)1-2-14(21-15)22-9-3-12(16(22)23)26-10-4-13-18(5-6-18)19(13)7-8-19;1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;15-11-9(1-7-14-11)16-8-2-10-12(3-4-12)13(10)5-6-13;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;10-6-1-7-8(2-3-8)9(7)4-5-9;5-3-1-2-6-4(3)7/h3,6-9,22,24-25H,4-5,10-21H2,1-2H3,(H,36,37)(H,39,41);4-5,15-16H,6-13H2,1-3H3;1-2,12-13H,3-10H2,(H,24,25);6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);9-10H,1-8H2,(H,14,15);4-5H,1-3H3;7,10H,1-6H2;3H,1-2H2,(H,6,7)/t22-,24?;;;14-;;;;/m1..0..../s1
InChIKeyLPDMLJYAKLVORS-SQWKATTMSA-N
XLogP23.10
TPSA520.52 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.24
LogP ≤ 523.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

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'}

Analyze 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one with MolForge

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Related Compounds

3-bromopyrrolidin-2-one;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazolidin-1-yl]-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;3-[2-(1-methylcyclopropyl)ethoxy]pyrrolidin-2-one;2-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 160660805
3-bromopyrrolidin-2-one;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-2,2-dioxo-8-[2-oxo-3-(4,4,4-trifluoro-3,3-dimethylbutoxy)pyrrolidin-1-yl]-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;4,4,4-trifluoro-3,3-dimethylbutan-1-ol;3-(4,4,4-trifluoro-3,3-dimethylbutoxy)pyrrolidin-2-one
CID 161269166
8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide
CID 157298685
N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)
CID 157367815
1-benzyl-3-(2-dispiro[2.0.24.13]heptan-7-ylethyl)pyrrolidin-2-one;1-benzylpyrrolidin-2-one;7-(2-bromoethyl)dispiro[2.0.24.13]heptane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-dispiro[2.0.24.13]heptan-7-ylethanol;bis((14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethyl)-2-oxopyrrolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-(2-dispiro[2.0.24.13]heptan-7-ylethyl)pyrrolidin-2-one
CID 157964691
tert-butyl (4S)-4-[3-[[6-[[2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 158794746
1-adamantylmethanol;bis((14S)-8-[3-(1-adamantylmethoxy)-2-oxopyrrolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-(1-adamantylmethoxy)pyrrolidin-2-one;3-bromopyrrolidin-2-one;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
CID 159409476
2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
CID 159706508
tert-butyl (4S)-4-[3-[[6-[[2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide
CID 159867660
1-chloro-3,3-dimethylbutane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloro-N-[[6-[3-[(3S)-5,5-dimethylpyrrolidin-3-yl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;(14S)-8-[3-(3,3-dimethylbutyl)-2-oxopyrrolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis(3-(3,3-dimethylbutyl)pyrrolidin-2-one);6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;pyrrolidin-2-one;hydrochloride
CID 160533244
3-bromopyrrolidin-2-one;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;3,3-dimethylbutan-1-ol;tris((14S)-8-[3-(3,3-dimethylbutoxy)-2-oxopyrrolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-(3,3-dimethylbutoxy)pyrrolidin-2-one
CID 160562655
tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one
CID 160723995

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one?
The IUPAC name of 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one (CID 159415833) is 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one.
What is the SMILES notation for 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one?
The canonical SMILES for 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one is CC(C)(C)OC(=O)N1C[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC(C)(C)OC(=O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(N4CCC(OCCC5C6(CC6)C56CC6)C4=O)nc3Cl)n2)C1.O=C(O)c1ccc(N2CCC(OCCC3C4(CC4)C34CC4)C2=O)nc1Cl.O=C1NCCC1Br.O=C1NCCC1OCCC1C2(CC2)C12CC2.OCCC1C2(CC2)C12CC2.
What is the InChIKey of 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one?
The InChIKey is LPDMLJYAKLVORS-SQWKATTMSA-N. The full InChI is InChI=1S/C34H44ClN5O5S.C23H29ClN2O4.C19H21ClN2O4.C19H32N4O4S.C13H19NO2.C10H11Cl2NO2.C9H14O.C4H6BrNO/c1-32(2)13-10-22(21-32)5-4-18-36-26-6-3-7-28(37-26)46(43,44)39-30(41)23-8-9-27(38-29(23)35)40-19-11-24(31(40)42)45-20-12-25-33(14-15-33)34(25)16-17-34;1-21(2,3)30-20(28)14-4-5-17(25-18(14)24)26-12-6-15(19(26)27)29-13-7-16-22(8-9-22)23(16)10-11-23;20-15-11(17(24)25)1-2-14(21-15)22-9-3-12(16(22)23)26-10-4-13-18(5-6-18)19(13)7-8-19;1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;15-11-9(1-7-14-11)16-8-2-10-12(3-4-12)13(10)5-6-13;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;10-6-1-7-8(2-3-8)9(7)4-5-9;5-3-1-2-6-4(3)7/h3,6-9,22,24-25H,4-5,10-21H2,1-2H3,(H,36,37)(H,39,41);4-5,15-16H,6-13H2,1-3H3;1-2,12-13H,3-10H2,(H,24,25);6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);9-10H,1-8H2,(H,14,15);4-5H,1-3H3;7,10H,1-6H2;3H,1-2H2,(H,6,7)/t22-,24?;;;14-;;;;/m1..0..../s1.
What are the key properties of 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one?
3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one has a molecular weight of 2664.24 g/mol, XLogP of 23.10, 38 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrrolidin-2-one;tert-butyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrrolidin-2-one is sourced from PubChem (CID 159415833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).