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

C186H182BrCl6F6N39O25 — CID 157083610

IUPAC2-(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
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(C)C(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCOC2)c2ccccc12
InChIInChI=1S/C33H29ClFN7O4.C29H26ClFN4O4.C28H28ClFN6O3.C26H26BrN7O3.C24H27ClFN5O3.2C23H23ClFN5O4/c1-19(43)33-26-11-20(38-21-14-36-18-37-15-21)9-10-29(26)42(40-33)17-31(46)41(22-12-23(44)13-22)16-30(45)39-28-8-4-6-25(32(28)35)24-5-2-3-7-27(24)34;1-17(36)29-22-8-3-5-12-25(22)35(33-29)16-27(39)34(18-13-19(37)14-18)15-26(38)32-24-11-6-9-21(28(24)31)20-7-2-4-10-23(20)30;1-17(2)35(15-25(38)32-13-19-6-4-8-23(29)27(19)30)26(39)16-36-24-10-9-20(33-21-7-5-11-31-14-21)12-22(24)28(34-36)18(3)37;1-16(2)33(14-24(36)31-23-8-4-7-22(27)30-23)25(37)15-34-21-10-9-18(29-19-6-5-11-28-13-19)12-20(21)26(32-34)17(3)35;1-14(2)15(3)30(12-20(32)28-11-16-7-6-9-18(25)22(16)26)21(33)13-31-19-10-5-4-8-17(19)23(29-31)24(27)34;2*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/h2-11,14-15,18,22-23,38,44H,12-13,16-17H2,1H3,(H,39,45);2-12,18-19,37H,13-16H2,1H3,(H,32,38);4-12,14,17,33H,13,15-16H2,1-3H3,(H,32,38);4-13,16,29H,14-15H2,1-3H3,(H,30,31,36);4-10,14-15H,11-13H2,1-3H3,(H2,27,34)(H,28,32);2*1-7,15H,8-13H2,(H2,26,33)(H,27,31)/t;;;;;15-;/m.....0./s1
InChIKeyADVKDQLUOBMCPQ-GGEQMMDDSA-N
MW3770.36 g/mol
LogP25.89
Rot. Bonds62

About 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

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 (PubChem CID 157083610) has the molecular formula C186H182BrCl6F6N39O25 and a molecular weight of 3770.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157083610
Molecular FormulaC186H182BrCl6F6N39O25
Molecular Weight3770.36 g/mol
Exact Mass3764.14
IUPAC Name2-(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
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(C)C(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCOC2)c2ccccc12
InChIInChI=1S/C33H29ClFN7O4.C29H26ClFN4O4.C28H28ClFN6O3.C26H26BrN7O3.C24H27ClFN5O3.2C23H23ClFN5O4/c1-19(43)33-26-11-20(38-21-14-36-18-37-15-21)9-10-29(26)42(40-33)17-31(46)41(22-12-23(44)13-22)16-30(45)39-28-8-4-6-25(32(28)35)24-5-2-3-7-27(24)34;1-17(36)29-22-8-3-5-12-25(22)35(33-29)16-27(39)34(18-13-19(37)14-18)15-26(38)32-24-11-6-9-21(28(24)31)20-7-2-4-10-23(20)30;1-17(2)35(15-25(38)32-13-19-6-4-8-23(29)27(19)30)26(39)16-36-24-10-9-20(33-21-7-5-11-31-14-21)12-22(24)28(34-36)18(3)37;1-16(2)33(14-24(36)31-23-8-4-7-22(27)30-23)25(37)15-34-21-10-9-18(29-19-6-5-11-28-13-19)12-20(21)26(32-34)17(3)35;1-14(2)15(3)30(12-20(32)28-11-16-7-6-9-18(25)22(16)26)21(33)13-31-19-10-5-4-8-17(19)23(29-31)24(27)34;2*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/h2-11,14-15,18,22-23,38,44H,12-13,16-17H2,1H3,(H,39,45);2-12,18-19,37H,13-16H2,1H3,(H,32,38);4-12,14,17,33H,13,15-16H2,1-3H3,(H,32,38);4-13,16,29H,14-15H2,1-3H3,(H,30,31,36);4-10,14-15H,11-13H2,1-3H3,(H2,27,34)(H,28,32);2*1-7,15H,8-13H2,(H2,26,33)(H,27,31)/t;;;;;15-;/m.....0./s1
InChIKeyADVKDQLUOBMCPQ-GGEQMMDDSA-N
XLogP25.89
TPSA827.62 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds62
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003770.36
LogP ≤ 525.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[3-acetyl-5-(pyrimidin-5-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-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-pentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide
CID 157952827
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;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3-hydroxycyclobutyl)acetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-hydroxyoxetan-3-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3,3-difluoropiperidine-1-carbonyl)indazole-3-carboxamide
CID 158649728
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
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
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 160934996
CID 160934996
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
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide
CID 161080538
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)-3H-pyrazolo[4,3-g]indolizin-1-ium-1-yl]acetate;methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 161325901

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccc(Nc3cncnc3)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC(O)C2)c2ccccc12.CC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(Br)n2)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(C)C(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCOC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2CCOC2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is ADVKDQLUOBMCPQ-GGEQMMDDSA-N. The full InChI is InChI=1S/C33H29ClFN7O4.C29H26ClFN4O4.C28H28ClFN6O3.C26H26BrN7O3.C24H27ClFN5O3.2C23H23ClFN5O4/c1-19(43)33-26-11-20(38-21-14-36-18-37-15-21)9-10-29(26)42(40-33)17-31(46)41(22-12-23(44)13-22)16-30(45)39-28-8-4-6-25(32(28)35)24-5-2-3-7-27(24)34;1-17(36)29-22-8-3-5-12-25(22)35(33-29)16-27(39)34(18-13-19(37)14-18)15-26(38)32-24-11-6-9-21(28(24)31)20-7-2-4-10-23(20)30;1-17(2)35(15-25(38)32-13-19-6-4-8-23(29)27(19)30)26(39)16-36-24-10-9-20(33-21-7-5-11-31-14-21)12-22(24)28(34-36)18(3)37;1-16(2)33(14-24(36)31-23-8-4-7-22(27)30-23)25(37)15-34-21-10-9-18(29-19-6-5-11-28-13-19)12-20(21)26(32-34)17(3)35;1-14(2)15(3)30(12-20(32)28-11-16-7-6-9-18(25)22(16)26)21(33)13-31-19-10-5-4-8-17(19)23(29-31)24(27)34;2*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/h2-11,14-15,18,22-23,38,44H,12-13,16-17H2,1H3,(H,39,45);2-12,18-19,37H,13-16H2,1H3,(H,32,38);4-12,14,17,33H,13,15-16H2,1-3H3,(H,32,38);4-13,16,29H,14-15H2,1-3H3,(H,30,31,36);4-10,14-15H,11-13H2,1-3H3,(H2,27,34)(H,28,32);2*1-7,15H,8-13H2,(H2,26,33)(H,27,31)/t;;;;;15-;/m.....0./s1.
What are the key properties of 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?
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 has a molecular weight of 3770.36 g/mol, XLogP of 25.89, 62 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157083610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).