2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

C147H155Br2Cl5F5N31O22 — CID 158432700

IUPAC2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C28H32ClFN6O5.C28H28ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-28(2,3)41-27(40)34-12-11-18(14-34)35(15-22(37)32-13-17-7-6-9-20(29)24(17)30)23(38)16-36-21-10-5-4-8-19(21)25(33-36)26(31)39;1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-10,18H,11-16H2,1-3H3,(H2,31,39)(H,32,37);4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t18-;;;14-;;13-/m0..1.1/s1
InChIKeyHBVVTGAHJPVLGG-CITYANKISA-N
MW3140.11 g/mol
LogP18.61
Rot. Bonds53

About 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide

2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158432700) has the molecular formula C147H155Br2Cl5F5N31O22 and a molecular weight of 3140.11 g/mol. Its IUPAC name is 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID158432700
Molecular FormulaC147H155Br2Cl5F5N31O22
Molecular Weight3140.11 g/mol
Exact Mass3133.87
IUPAC Name2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C28H32ClFN6O5.C28H28ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-28(2,3)41-27(40)34-12-11-18(14-34)35(15-22(37)32-13-17-7-6-9-20(29)24(17)30)23(38)16-36-21-10-5-4-8-19(21)25(33-36)26(31)39;1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-10,18H,11-16H2,1-3H3,(H2,31,39)(H,32,37);4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t18-;;;14-;;13-/m0..1.1/s1
InChIKeyHBVVTGAHJPVLGG-CITYANKISA-N
XLogP18.61
TPSA704.80 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds53
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003140.11
LogP ≤ 518.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

CID 157559274
CID 157559274
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-(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
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-propan-2-ylamino]acetic acid;tert-butyl 2-[[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;3-chloro-2-fluoroaniline;methane;2,2,2-trifluoroacetaldehyde
CID 160047832
2-[3-acetyl-5-(pyridazin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;methane;pyridazin-3-amine;2,2,2-trifluoroacetaldehyde
CID 160270503
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;5-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(cyclohexylmethylamino)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 160485208
CID 160858314
CID 160858314
CID 160954086
CID 160954086
2-(3-acetyl-6-aminoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;tert-butyl N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]carbamate;tert-butyl N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]carbamate;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(1-methylsulfonylindazol-3-yl)-N-propan-2-ylacetamide
CID 161409779
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;methane;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde
CID 161475016
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;methane;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde
CID 161922643
2-(3-acetylindazol-1-yl)-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-(3-hydroxycyclobutyl)acetamide;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-(3-hydroxycyclobutyl)acetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutan-2-yl)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;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3S)-oxolan-3-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157083610

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 158432700) is 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC(C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](CO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is HBVVTGAHJPVLGG-CITYANKISA-N. The full InChI is InChI=1S/C28H32ClFN6O5.C28H28ClFN6O3.C24H25ClFN5O3.C23H25ClFN5O4.C22H22Br2N4O3.C22H23ClFN5O4/c1-28(2,3)41-27(40)34-12-11-18(14-34)35(15-22(37)32-13-17-7-6-9-20(29)24(17)30)23(38)16-36-21-10-5-4-8-19(21)25(33-36)26(31)39;1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21;1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34;1-13(2)28(11-21(30)26-20-6-4-5-19(24)25-20)22(31)12-27-10-17(14(3)29)16-9-15(23)7-8-18(16)27;1-13(12-30)28(10-18(31)26-9-14-5-4-7-16(23)20(14)24)19(32)11-29-17-8-3-2-6-15(17)21(27-29)22(25)33/h4-10,18H,11-16H2,1-3H3,(H2,31,39)(H,32,37);4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38);2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32);4-10,13H,11-12H2,1-3H3,(H,25,26,30);2-8,13,30H,9-12H2,1H3,(H2,25,33)(H,26,31)/t18-;;;14-;;13-/m0..1.1/s1.
What are the key properties of 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide?
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3140.11 g/mol, XLogP of 18.61, 53 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl (3S)-3-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]pyrrolidine-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(1-cyclopropylethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158432700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).