2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid

C143H168Br2N22O31S4 — CID 167571440

IUPAC2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCCC.CCOC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CCc1coc(Br)n1.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(-c4nc(C(=O)O)co4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.O=C=O
InChIInChI=1S/C30H34N4O7S.C29H33N5O6S.C28H30N4O7S.C24H28BrN3O4S.C22H27N5O4.C5H6BrNO.C4H10.CO2/c1-6-39-29(36)24-17-40-28(33-24)23-16-31-27-22(11-12-34(27)42(37,38)21-9-7-18(2)8-10-21)26(23)32-20-13-19(14-20)15-25(35)41-30(3,4)5;1-17-6-8-20(9-7-17)41(37,38)34-11-10-21-25(32-19-12-18(13-19)14-24(35)40-29(2,3)4)22(15-31-26(21)34)28-33-23(16-39-28)27(36)30-5;1-16-5-7-19(8-6-16)40(36,37)32-10-9-20-24(30-18-11-17(12-18)13-23(33)39-28(2,3)4)21(14-29-25(20)32)26-31-22(15-38-26)27(34)35;1-15-5-7-18(8-6-15)33(30,31)28-10-9-19-22(20(25)14-26-23(19)28)27-17-11-16(12-17)13-21(29)32-24(2,3)4;1-22(2,3)31-17(28)9-12-7-13(8-12)26-18-14-5-6-24-19(14)25-10-15(18)21-27-16(11-30-21)20(29)23-4;1-2-4-3-8-5(6)7-4;1-3-4-2;2-1-3/h7-12,16-17,19-20H,6,13-15H2,1-5H3,(H,31,32);6-11,15-16,18-19H,12-14H2,1-5H3,(H,30,36)(H,31,32);5-10,14-15,17-18H,11-13H2,1-4H3,(H,29,30)(H,34,35);5-10,14,16-17H,11-13H2,1-4H3,(H,26,27);5-6,10-13H,7-9H2,1-4H3,(H,23,29)(H2,24,25,26);3H,2H2,1H3;3-4H2,1-2H3;
InChIKeyFYPBGXQZKJJSDY-UHFFFAOYSA-N
MW2979.12 g/mol
LogP26.70
Rot. Bonds39

About 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid

2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 167571440) has the molecular formula C143H168Br2N22O31S4 and a molecular weight of 2979.12 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID167571440
Molecular FormulaC143H168Br2N22O31S4
Molecular Weight2979.12 g/mol
Exact Mass2974.95
IUPAC Name2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCCC.CCOC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CCc1coc(Br)n1.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(-c4nc(C(=O)O)co4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.O=C=O
InChIInChI=1S/C30H34N4O7S.C29H33N5O6S.C28H30N4O7S.C24H28BrN3O4S.C22H27N5O4.C5H6BrNO.C4H10.CO2/c1-6-39-29(36)24-17-40-28(33-24)23-16-31-27-22(11-12-34(27)42(37,38)21-9-7-18(2)8-10-21)26(23)32-20-13-19(14-20)15-25(35)41-30(3,4)5;1-17-6-8-20(9-7-17)41(37,38)34-11-10-21-25(32-19-12-18(13-19)14-24(35)40-29(2,3)4)22(15-31-26(21)34)28-33-23(16-39-28)27(36)30-5;1-16-5-7-19(8-6-16)40(36,37)32-10-9-20-24(30-18-11-17(12-18)13-23(33)39-28(2,3)4)21(14-29-25(20)32)26-31-22(15-38-26)27(34)35;1-15-5-7-18(8-6-15)33(30,31)28-10-9-19-22(20(25)14-26-23(19)28)27-17-11-16(12-17)13-21(29)32-24(2,3)4;1-22(2,3)31-17(28)9-12-7-13(8-12)26-18-14-5-6-24-19(14)25-10-15(18)21-27-16(11-30-21)20(29)23-4;1-2-4-3-8-5(6)7-4;1-3-4-2;2-1-3/h7-12,16-17,19-20H,6,13-15H2,1-5H3,(H,31,32);6-11,15-16,18-19H,12-14H2,1-5H3,(H,30,36)(H,31,32);5-10,14-15,17-18H,11-13H2,1-4H3,(H,29,30)(H,34,35);5-10,14,16-17H,11-13H2,1-4H3,(H,26,27);5-6,10-13H,7-9H2,1-4H3,(H,23,29)(H2,24,25,26);3H,2H2,1H3;3-4H2,1-2H3;
InChIKeyFYPBGXQZKJJSDY-UHFFFAOYSA-N
XLogP26.70
TPSA714.26 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds39
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002979.12
LogP ≤ 526.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid (CID 167571440) is 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid is CCCC.CCOC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CCc1coc(Br)n1.CNC(=O)c1coc(-c2cnc3[nH]ccc3c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1coc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(CC(=O)OC(C)(C)C)C2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(-c4nc(C(=O)O)co4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(CC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.O=C=O.
What is the InChIKey of 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is FYPBGXQZKJJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O7S.C29H33N5O6S.C28H30N4O7S.C24H28BrN3O4S.C22H27N5O4.C5H6BrNO.C4H10.CO2/c1-6-39-29(36)24-17-40-28(33-24)23-16-31-27-22(11-12-34(27)42(37,38)21-9-7-18(2)8-10-21)26(23)32-20-13-19(14-20)15-25(35)41-30(3,4)5;1-17-6-8-20(9-7-17)41(37,38)34-11-10-21-25(32-19-12-18(13-19)14-24(35)40-29(2,3)4)22(15-31-26(21)34)28-33-23(16-39-28)27(36)30-5;1-16-5-7-19(8-6-16)40(36,37)32-10-9-20-24(30-18-11-17(12-18)13-23(33)39-28(2,3)4)21(14-29-25(20)32)26-31-22(15-38-26)27(34)35;1-15-5-7-18(8-6-15)33(30,31)28-10-9-19-22(20(25)14-26-23(19)28)27-17-11-16(12-17)13-21(29)32-24(2,3)4;1-22(2,3)31-17(28)9-12-7-13(8-12)26-18-14-5-6-24-19(14)25-10-15(18)21-27-16(11-30-21)20(29)23-4;1-2-4-3-8-5(6)7-4;1-3-4-2;2-1-3/h7-12,16-17,19-20H,6,13-15H2,1-5H3,(H,31,32);6-11,15-16,18-19H,12-14H2,1-5H3,(H,30,36)(H,31,32);5-10,14-15,17-18H,11-13H2,1-4H3,(H,29,30)(H,34,35);5-10,14,16-17H,11-13H2,1-4H3,(H,26,27);5-6,10-13H,7-9H2,1-4H3,(H,23,29)(H2,24,25,26);3H,2H2,1H3;3-4H2,1-2H3;.
What are the key properties of 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 2979.12 g/mol, XLogP of 26.70, 39 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1,3-oxazole;butane;tert-butyl 2-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;tert-butyl 2-[3-[[5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]acetate;carbon dioxide;ethyl 2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylate;2-[1-(4-methylphenyl)sulfonyl-4-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutyl]amino]pyrrolo[2,3-b]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167571440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).