2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

C216H219Br2Cl8F9N56O31 — CID 160934996

IUPAC2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCC(C)(O)CN(CC(=O)CCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CC1N=C(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.Nc1ncnc2c1ccn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1
InChIInChI=1S/C24H26ClFN4O4.C23H21ClF3N5O3.C23H23ClFN5O3.C22H21ClFN5O5.C22H25N7O3.C21H23BrN6O3.C21H19Cl2FN6O2.C21H20ClF2N5O3.C21H23ClN6O3.C18H18BrN7O2/c1-24(2,34)14-29(12-16(31)11-10-15-6-5-8-18(25)21(15)26)20(32)13-30-19-9-4-3-7-17(19)22(28-30)23(27)33;24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;1-11(2)30(9-16(31)26-8-12-4-3-5-13(22)19(12)24)17(32)6-14-20-18(15(7-25)29-14)21(23)28-10-27-20;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31;19-13-2-1-3-14(23-13)24-15(27)8-26(11-4-5-11)16(28)9-25-7-6-12-17(20)21-10-22-18(12)25/h3-9,34H,10-14H2,1-2H3,(H2,27,33);1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);3-5,10-11,14H,6,8-9H2,1-2H3,(H,26,31);1-7H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29);1-3,6-7,10-11H,4-5,8-9H2,(H2,20,21,22)(H,23,24,27)
InChIKeySTTLVAMJRNJHJE-UHFFFAOYSA-N
MW4709.90 g/mol
LogP22.07
Rot. Bonds81

About 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate (PubChem CID 160934996) has the molecular formula C216H219Br2Cl8F9N56O31 and a molecular weight of 4709.90 g/mol. Its IUPAC name is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
PubChem CID160934996
Molecular FormulaC216H219Br2Cl8F9N56O31
Molecular Weight4709.90 g/mol
Exact Mass4701.30
IUPAC Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCC(C)(O)CN(CC(=O)CCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CC1N=C(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.Nc1ncnc2c1ccn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1
InChIInChI=1S/C24H26ClFN4O4.C23H21ClF3N5O3.C23H23ClFN5O3.C22H21ClFN5O5.C22H25N7O3.C21H23BrN6O3.C21H19Cl2FN6O2.C21H20ClF2N5O3.C21H23ClN6O3.C18H18BrN7O2/c1-24(2,34)14-29(12-16(31)11-10-15-6-5-8-18(25)21(15)26)20(32)13-30-19-9-4-3-7-17(19)22(28-30)23(27)33;24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;1-11(2)30(9-16(31)26-8-12-4-3-5-13(22)19(12)24)17(32)6-14-20-18(15(7-25)29-14)21(23)28-10-27-20;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31;19-13-2-1-3-14(23-13)24-15(27)8-26(11-4-5-11)16(28)9-25-7-6-12-17(20)21-10-22-18(12)25/h3-9,34H,10-14H2,1-2H3,(H2,27,33);1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);3-5,10-11,14H,6,8-9H2,1-2H3,(H,26,31);1-7H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29);1-3,6-7,10-11H,4-5,8-9H2,(H2,20,21,22)(H,23,24,27)
InChIKeySTTLVAMJRNJHJE-UHFFFAOYSA-N
XLogP22.07
TPSA1189.34 Ų
H-Bond Donors19
H-Bond Acceptors60
Rotatable Bonds81
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004709.90
LogP ≤ 522.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1060

Analyze 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate (CID 160934996) is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The canonical SMILES for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is CC(C)(O)CN(CC(=O)CCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)CC1N=C(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.Nc1ncnc2c1ccn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1.
What is the InChIKey of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The InChIKey is STTLVAMJRNJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O4.C23H21ClF3N5O3.C23H23ClFN5O3.C22H21ClFN5O5.C22H25N7O3.C21H23BrN6O3.C21H19Cl2FN6O2.C21H20ClF2N5O3.C21H23ClN6O3.C18H18BrN7O2/c1-24(2,34)14-29(12-16(31)11-10-15-6-5-8-18(25)21(15)26)20(32)13-30-19-9-4-3-7-17(19)22(28-30)23(27)33;24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-27(2)18-9-5-8-17(24-18)25-19(30)12-28(14-10-11-14)20(31)13-29-16-7-4-3-6-15(16)21(26-29)22(23)32;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;1-11(2)30(9-16(31)26-8-12-4-3-5-13(22)19(12)24)17(32)6-14-20-18(15(7-25)29-14)21(23)28-10-27-20;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)32;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31;19-13-2-1-3-14(23-13)24-15(27)8-26(11-4-5-11)16(28)9-25-7-6-12-17(20)21-10-22-18(12)25/h3-9,34H,10-14H2,1-2H3,(H2,27,33);1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);3-5,10-11,14H,6,8-9H2,1-2H3,(H,26,31);1-7H,8-12H2,(H2,25,32)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29);1-3,6-7,10-11H,4-5,8-9H2,(H2,20,21,22)(H,23,24,27).
What are the key properties of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate has a molecular weight of 4709.90 g/mol, XLogP of 22.07, 81 rotatable bonds, 19 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-(4-chloro-5-cyano-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 160934996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).