2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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

C128H131BrCl5F5N36O17 — CID 160972838

IUPAC2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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
SMILESCC(C)(O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.Nc1ncnc2c1ccn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1
InChIInChI=1S/C23H21ClF3N5O3.C23H25ClFN5O4.C22H25N7O3.C21H19Cl2FN6O2.C21H23ClN6O3.C18H18BrN7O2/c24-16-6-3-4-13(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;1-23(2,34)13-29(11-18(31)27-10-14-6-5-8-16(24)20(14)25)19(32)12-30-17-9-4-3-7-15(17)21(28-30)22(26)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;1-12(2)30(9-16(31)26-7-13-4-3-5-15(22)19(13)24)17(32)10-29-8-14(6-25)18-20(23)27-11-28-21(18)29;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/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);3-9,34H,10-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-5,8,11-12H,7,9-10H2,1-2H3,(H,26,31);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)
InChIKeySYMFCVJYSJLOFS-UHFFFAOYSA-N
MW2797.85 g/mol
LogP12.78
Rot. Bonds46

About 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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

2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 (PubChem CID 160972838) has the molecular formula C128H131BrCl5F5N36O17 and a molecular weight of 2797.85 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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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.

Molecular Properties

Compound Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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
PubChem CID160972838
Molecular FormulaC128H131BrCl5F5N36O17
Molecular Weight2797.85 g/mol
Exact Mass2792.80
IUPAC Name2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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
SMILESCC(C)(O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.Nc1ncnc2c1ccn2CC(=O)N(CC(=O)Nc1cccc(Br)n1)C1CC1
InChIInChI=1S/C23H21ClF3N5O3.C23H25ClFN5O4.C22H25N7O3.C21H19Cl2FN6O2.C21H23ClN6O3.C18H18BrN7O2/c24-16-6-3-4-13(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;1-23(2,34)13-29(11-18(31)27-10-14-6-5-8-16(24)20(14)25)19(32)12-30-17-9-4-3-7-15(17)21(28-30)22(26)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;1-12(2)30(9-16(31)26-7-13-4-3-5-15(22)19(13)24)17(32)10-29-8-14(6-25)18-20(23)27-11-28-21(18)29;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/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);3-9,34H,10-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-5,8,11-12H,7,9-10H2,1-2H3,(H,26,31);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)
InChIKeySYMFCVJYSJLOFS-UHFFFAOYSA-N
XLogP12.78
TPSA713.47 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002797.85
LogP ≤ 512.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 with MolForge

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Related Compounds

1-[(1S,2S,5R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-(6-methyl-2-pyridinyl)ethanone;3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157131043
3-acetyl-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(cyclopropylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indole-3,5-dicarboxamide
CID 157788669
(2S,4R)-1-[2-[3-acetyl-5-(3-cyano-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-cyano-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 157871832
(1R,22R,25S)-16-acetyl-N-(6-bromo-4-methyl-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-(2-fluoro-3-methylbut-2-enyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-[(E)-2-fluoro-3-phenylbut-2-enyl]-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-3,5,5-trimethyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 158472357
2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 158919758
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrrolo[1,2-b]pyridazin-7-ylindazol-1-yl)acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 159288789
2-[3-acetyl-8-(3-chlorophenyl)pyrazolo[4,5-g]indolizin-1-yl]acetic acid;1-[(2S,4R)-1-[2-[5-acetyl-11-(3-chlorophenyl)-3,4,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-3-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-bromo-2-pyridinyl)ethanone;1-(1-azidoethenyl)-3-chlorobenzene;1-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2,2,2-trifluoroethanone;methyl 2-[3-acetyl-7-(3-chlorophenyl)-3,5a-dihydrocyclopenta[g]indazol-1-ium-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 159386923
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]piperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(cyclohexylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-2-ylcarbamoylamino)indazole-3-carboxamide
CID 159421950
N-[3-acetyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[3-(1-methylpiperidin-4-yl)-2-oxopropyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159940842
(1R,22R,25S)-16-acetyl-N-(6-bromo-4-fluoro-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-[(3-chloro-2-fluorophenyl)methyl]-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 159997041
CID 160352711
CID 160352711
(1R,22R,25S)-16-acetyl-N-(6-bromo-5-fluoro-4-methyl-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-(6-bromo-5-fluoro-4-methyl-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-(6-bromo-5-fluoro-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(5-methylpyrazin-2-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-25-carboxamide
CID 160407395

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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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?
The IUPAC name of 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 (CID 160972838) is 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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.
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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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?
The canonical SMILES for 2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 is CC(C)(O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C#N)c2c(Cl)ncnc21.CC(C)N(CC(=O)NCc1cccc(Cl)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CN(C)c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)n1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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?
The InChIKey is SYMFCVJYSJLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N5O3.C23H25ClFN5O4.C22H25N7O3.C21H19Cl2FN6O2.C21H23ClN6O3.C18H18BrN7O2/c24-16-6-3-4-13(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;1-23(2,34)13-29(11-18(31)27-10-14-6-5-8-16(24)20(14)25)19(32)12-30-17-9-4-3-7-15(17)21(28-30)22(26)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;1-12(2)30(9-16(31)26-7-13-4-3-5-15(22)19(13)24)17(32)10-29-8-14(6-25)18-20(23)27-11-28-21(18)29;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/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);3-9,34H,10-13H2,1-2H3,(H2,26,33)(H,27,31);3-9,14H,10-13H2,1-2H3,(H2,23,32)(H,24,25,30);3-5,8,11-12H,7,9-10H2,1-2H3,(H,26,31);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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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?
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-cyclopropylacetamide;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 has a molecular weight of 2797.85 g/mol, XLogP of 12.78, 46 rotatable bonds, 12 hydrogen bond donors, and 37 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;2-(4-chloro-5-cyanopyrrolo[2,3-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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(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 is sourced from PubChem (CID 160972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).