2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide

C208H218Br2Cl8F7N47O29 — CID 157137723

IUPAC2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide
SMILESCC(=O)Nc1ccnc2c1ccn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.CC(C)(C)OC(=O)N1CCC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)CC1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CN(CCC(N)=O)c1ccccc1.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cccc(Br)n1)C1CC1.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cncc(Br)n1)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.O=C(CN(C(=O)Cn1ccc2c(Cl)ccnc21)C1CC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C29H34ClFN6O5.C26H29ClFN5O3.C24H25ClFN5O3.C23H23ClFN5O4.C23H23ClFN5O3.C23H28ClFN4O3.C21H19Cl2FN4O2.C20H19BrN6O3.C19H18BrN7O3/c1-29(2,3)42-28(41)35-13-11-19(12-14-35)36(16-23(38)33-15-18-7-6-9-21(30)25(18)31)24(39)17-37-22-10-5-4-8-20(22)26(34-37)27(32)40;27-20-12-7-8-17(24(20)28)14-30-22(34)15-32(18-9-3-1-2-4-10-18)23(35)16-33-21-13-6-5-11-19(21)25(31-33)26(29)36;1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;24-17-6-3-4-14(21(17)25)10-27-19(31)11-29(15-8-9-34-13-15)20(32)12-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-14(31)28-19-7-9-26-23-17(19)8-10-29(23)13-21(33)30(16-5-6-16)12-20(32)27-11-15-3-2-4-18(24)22(15)25;1-16(2)29(14-21(31)27-13-17-7-6-10-19(24)23(17)25)22(32)15-28(12-11-20(26)30)18-8-4-3-5-9-18;22-16-6-8-25-21-15(16)7-9-27(21)12-19(30)28(14-4-5-14)11-18(29)26-10-13-2-1-3-17(23)20(13)24;21-16-3-1-2-12(25-16)8-14(28)9-27(13-4-5-13)17(29)10-26-7-6-15-18(19(22)30)23-11-24-20(15)26;20-15-7-22-6-11(25-15)5-13(28)8-27(12-1-2-12)16(29)9-26-4-3-14-17(18(21)30)23-10-24-19(14)26/h4-10,19H,11-17H2,1-3H3,(H2,32,40)(H,33,38);5-8,11-13,18H,1-4,9-10,14-16H2,(H2,29,36)(H,30,34);3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);1-7,15H,8-13H2,(H2,26,33)(H,27,31);2-4,7-10,16H,5-6,11-13H2,1H3,(H,27,32)(H,26,28,31);3-10,16H,11-15H2,1-2H3,(H2,26,30)(H,27,31);1-3,6-9,14H,4-5,10-12H2,(H,26,29);1-3,6-7,11,13H,4-5,8-10H2,(H2,22,30);3-4,6-7,10,12H,1-2,5,8-9H2,(H2,21,30)
InChIKeyAJVAIAQIZYYZCS-UHFFFAOYSA-N
MW4416.75 g/mol
LogP23.98
Rot. Bonds74

About 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide

2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide (PubChem CID 157137723) has the molecular formula C208H218Br2Cl8F7N47O29 and a molecular weight of 4416.75 g/mol. Its IUPAC name is 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide.

Molecular Properties

Compound Name2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide
PubChem CID157137723
Molecular FormulaC208H218Br2Cl8F7N47O29
Molecular Weight4416.75 g/mol
Exact Mass4408.28
IUPAC Name2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide
SMILESCC(=O)Nc1ccnc2c1ccn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.CC(C)(C)OC(=O)N1CCC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)CC1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CN(CCC(N)=O)c1ccccc1.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cccc(Br)n1)C1CC1.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cncc(Br)n1)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.O=C(CN(C(=O)Cn1ccc2c(Cl)ccnc21)C1CC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C29H34ClFN6O5.C26H29ClFN5O3.C24H25ClFN5O3.C23H23ClFN5O4.C23H23ClFN5O3.C23H28ClFN4O3.C21H19Cl2FN4O2.C20H19BrN6O3.C19H18BrN7O3/c1-29(2,3)42-28(41)35-13-11-19(12-14-35)36(16-23(38)33-15-18-7-6-9-21(30)25(18)31)24(39)17-37-22-10-5-4-8-20(22)26(34-37)27(32)40;27-20-12-7-8-17(24(20)28)14-30-22(34)15-32(18-9-3-1-2-4-10-18)23(35)16-33-21-13-6-5-11-19(21)25(31-33)26(29)36;1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;24-17-6-3-4-14(21(17)25)10-27-19(31)11-29(15-8-9-34-13-15)20(32)12-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-14(31)28-19-7-9-26-23-17(19)8-10-29(23)13-21(33)30(16-5-6-16)12-20(32)27-11-15-3-2-4-18(24)22(15)25;1-16(2)29(14-21(31)27-13-17-7-6-10-19(24)23(17)25)22(32)15-28(12-11-20(26)30)18-8-4-3-5-9-18;22-16-6-8-25-21-15(16)7-9-27(21)12-19(30)28(14-4-5-14)11-18(29)26-10-13-2-1-3-17(23)20(13)24;21-16-3-1-2-12(25-16)8-14(28)9-27(13-4-5-13)17(29)10-26-7-6-15-18(19(22)30)23-11-24-20(15)26;20-15-7-22-6-11(25-15)5-13(28)8-27(12-1-2-12)16(29)9-26-4-3-14-17(18(21)30)23-10-24-19(14)26/h4-10,19H,11-17H2,1-3H3,(H2,32,40)(H,33,38);5-8,11-13,18H,1-4,9-10,14-16H2,(H2,29,36)(H,30,34);3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);1-7,15H,8-13H2,(H2,26,33)(H,27,31);2-4,7-10,16H,5-6,11-13H2,1H3,(H,27,32)(H,26,28,31);3-10,16H,11-15H2,1-2H3,(H2,26,30)(H,27,31);1-3,6-9,14H,4-5,10-12H2,(H,26,29);1-3,6-7,11,13H,4-5,8-10H2,(H2,22,30);3-4,6-7,10,12H,1-2,5,8-9H2,(H2,21,30)
InChIKeyAJVAIAQIZYYZCS-UHFFFAOYSA-N
XLogP23.98
TPSA1000.38 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds74
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004416.75
LogP ≤ 523.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide?
The IUPAC name of 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide (CID 157137723) is 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide.
What is the SMILES notation for 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide?
The canonical SMILES for 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide is CC(=O)Nc1ccnc2c1ccn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.CC(C)(C)OC(=O)N1CCC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)CC1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CN(CCC(N)=O)c1ccccc1.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cccc(Br)n1)C1CC1.NC(=O)c1ncnc2c1ccn2CC(=O)N(CC(=O)Cc1cncc(Br)n1)C1CC1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.O=C(CN(C(=O)Cn1ccc2c(Cl)ccnc21)C1CC1)NCc1cccc(Cl)c1F.
What is the InChIKey of 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide?
The InChIKey is AJVAIAQIZYYZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClFN6O5.C26H29ClFN5O3.C24H25ClFN5O3.C23H23ClFN5O4.C23H23ClFN5O3.C23H28ClFN4O3.C21H19Cl2FN4O2.C20H19BrN6O3.C19H18BrN7O3/c1-29(2,3)42-28(41)35-13-11-19(12-14-35)36(16-23(38)33-15-18-7-6-9-21(30)25(18)31)24(39)17-37-22-10-5-4-8-20(22)26(34-37)27(32)40;27-20-12-7-8-17(24(20)28)14-30-22(34)15-32(18-9-3-1-2-4-10-18)23(35)16-33-21-13-6-5-11-19(21)25(31-33)26(29)36;1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;24-17-6-3-4-14(21(17)25)10-27-19(31)11-29(15-8-9-34-13-15)20(32)12-30-18-7-2-1-5-16(18)22(28-30)23(26)33;1-14(31)28-19-7-9-26-23-17(19)8-10-29(23)13-21(33)30(16-5-6-16)12-20(32)27-11-15-3-2-4-18(24)22(15)25;1-16(2)29(14-21(31)27-13-17-7-6-10-19(24)23(17)25)22(32)15-28(12-11-20(26)30)18-8-4-3-5-9-18;22-16-6-8-25-21-15(16)7-9-27(21)12-19(30)28(14-4-5-14)11-18(29)26-10-13-2-1-3-17(23)20(13)24;21-16-3-1-2-12(25-16)8-14(28)9-27(13-4-5-13)17(29)10-26-7-6-15-18(19(22)30)23-11-24-20(15)26;20-15-7-22-6-11(25-15)5-13(28)8-27(12-1-2-12)16(29)9-26-4-3-14-17(18(21)30)23-10-24-19(14)26/h4-10,19H,11-17H2,1-3H3,(H2,32,40)(H,33,38);5-8,11-13,18H,1-4,9-10,14-16H2,(H2,29,36)(H,30,34);3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);1-7,15H,8-13H2,(H2,26,33)(H,27,31);2-4,7-10,16H,5-6,11-13H2,1H3,(H,27,32)(H,26,28,31);3-10,16H,11-15H2,1-2H3,(H2,26,30)(H,27,31);1-3,6-9,14H,4-5,10-12H2,(H,26,29);1-3,6-7,11,13H,4-5,8-10H2,(H2,22,30);3-4,6-7,10,12H,1-2,5,8-9H2,(H2,21,30).
What are the key properties of 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide?
2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide has a molecular weight of 4416.75 g/mol, XLogP of 23.98, 74 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopyrrolo[2,3-b]pyridin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;7-[2-[[3-(6-bromopyrazin-2-yl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-[2-[[3-(6-bromo-2-pyridinyl)-2-oxopropyl]-cyclopropylamino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-4-carboxamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cycloheptylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(oxolan-3-yl)amino]-2-oxoethyl]indazole-3-carboxamide;3-(N-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]anilino)propanamide is sourced from PubChem (CID 157137723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).