2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C172H174BrCl5F9N43O28 — CID 158230689

IUPAC2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1ncc2c(=O)[nH]c(N)nc21.CCC[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.COc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C23H24ClFN4O3.C22H23ClFN5O4.C22H20F3N5O4.C22H22FN5O4.C21H21ClFN5O4.C19H18BrN7O3.C19H21ClFN7O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-2-6-17(19(30)12-11-14-7-5-9-16(24)21(14)25)27-20(31)13-29-18-10-4-3-8-15(18)22(28-29)23(26)32;23-16-7-3-5-14(20(16)24)11-26-18(31)12-28(9-4-10-30)19(32)13-29-17-8-2-1-6-15(17)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-32-17-8-4-6-15(20(17)23)25-18(29)11-27(13-9-10-13)19(30)12-28-16-7-3-2-5-14(16)21(26-28)22(24)31;22-15-6-3-4-13(19(15)23)10-25-17(30)11-27(8-9-29)18(31)12-28-16-7-2-1-5-14(16)20(26-28)21(24)32;20-14-7-22-8-15(23-14)24-16(28)9-26(11-5-6-11)17(29)10-27-13-4-2-1-3-12(13)18(25-27)19(21)30;1-10(2)27(8-14(29)23-6-11-4-3-5-13(20)16(11)21)15(30)9-28-17-12(7-24-28)18(31)26-19(22)25-17/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);3-5,7-10,17H,2,6,11-13H2,1H3,(H2,26,32)(H,27,31);1-3,5-8,30H,4,9-13H2,(H2,25,33)(H,26,31);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,29);1-7,29H,8-12H2,(H2,24,32)(H,25,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28);3-5,7,10H,6,8-9H2,1-2H3,(H,23,29)(H3,22,25,26,31)/t;17-;;;;;;/m.0....../s1
InChIKeyGEIQAGCSSCTBAK-HMOKYIHZSA-N
MW3719.71 g/mol
LogP15.89
Rot. Bonds67

About 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide

2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158230689) has the molecular formula C172H174BrCl5F9N43O28 and a molecular weight of 3719.71 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID158230689
Molecular FormulaC172H174BrCl5F9N43O28
Molecular Weight3719.71 g/mol
Exact Mass3714.10
IUPAC Name2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1ncc2c(=O)[nH]c(N)nc21.CCC[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.COc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C23H24ClFN4O3.C22H23ClFN5O4.C22H20F3N5O4.C22H22FN5O4.C21H21ClFN5O4.C19H18BrN7O3.C19H21ClFN7O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-2-6-17(19(30)12-11-14-7-5-9-16(24)21(14)25)27-20(31)13-29-18-10-4-3-8-15(18)22(28-29)23(26)32;23-16-7-3-5-14(20(16)24)11-26-18(31)12-28(9-4-10-30)19(32)13-29-17-8-2-1-6-15(17)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-32-17-8-4-6-15(20(17)23)25-18(29)11-27(13-9-10-13)19(30)12-28-16-7-3-2-5-14(16)21(26-28)22(24)31;22-15-6-3-4-13(19(15)23)10-25-17(30)11-27(8-9-29)18(31)12-28-16-7-2-1-5-14(16)20(26-28)21(24)32;20-14-7-22-8-15(23-14)24-16(28)9-26(11-5-6-11)17(29)10-27-13-4-2-1-3-12(13)18(25-27)19(21)30;1-10(2)27(8-14(29)23-6-11-4-3-5-13(20)16(11)21)15(30)9-28-17-12(7-24-28)18(31)26-19(22)25-17/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);3-5,7-10,17H,2,6,11-13H2,1H3,(H2,26,32)(H,27,31);1-3,5-8,30H,4,9-13H2,(H2,25,33)(H,26,31);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,29);1-7,29H,8-12H2,(H2,24,32)(H,25,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28);3-5,7,10H,6,8-9H2,1-2H3,(H,23,29)(H3,22,25,26,31)/t;17-;;;;;;/m.0....../s1
InChIKeyGEIQAGCSSCTBAK-HMOKYIHZSA-N
XLogP15.89
TPSA992.70 Ų
H-Bond Donors19
H-Bond Acceptors48
Rotatable Bonds67
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003719.71
LogP ≤ 515.89
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1048

Analyze 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-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-[cyclopropyl-[2-[[6-(dimethylamino)-2-pyridinyl]amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]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 158741509
(1R,3S,5R)-2-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 159906656
(2S,4R)-1-[2-(3-acetyl-5-imidazo[1,2-a]pyrimidin-6-ylindol-1-yl)acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindol-1-yl)acetyl]-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindol-1-yl)acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 161898530
5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide
CID 157560306
2-[3-acetyl-5-(3-cyclopropyl-2-oxopropyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(4,4-dimethyl-2-oxopentyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(isocyanomethoxy)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[[(3R)-3-methylpiperidine-1-carbonyl]amino]indazole-3-carboxamide
CID 158422789
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159882621
1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide
CID 161355403
CID 161357047
CID 161357047
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide
CID 161402512

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 158230689) is 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1ncc2c(=O)[nH]c(N)nc21.CCC[C@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.COc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cccc(OC(F)(F)F)c2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is GEIQAGCSSCTBAK-HMOKYIHZSA-N. The full InChI is InChI=1S/C24H25ClFN5O3.C23H24ClFN4O3.C22H23ClFN5O4.C22H20F3N5O4.C22H22FN5O4.C21H21ClFN5O4.C19H18BrN7O3.C19H21ClFN7O3/c25-18-10-5-6-15(22(18)26)12-28-20(32)13-30(16-7-1-2-8-16)21(33)14-31-19-11-4-3-9-17(19)23(29-31)24(27)34;1-2-6-17(19(30)12-11-14-7-5-9-16(24)21(14)25)27-20(31)13-29-18-10-4-3-8-15(18)22(28-29)23(26)32;23-16-7-3-5-14(20(16)24)11-26-18(31)12-28(9-4-10-30)19(32)13-29-17-8-2-1-6-15(17)21(27-29)22(25)33;23-22(24,25)34-15-5-3-4-13(10-15)27-18(31)11-29(14-8-9-14)19(32)12-30-17-7-2-1-6-16(17)20(28-30)21(26)33;1-32-17-8-4-6-15(20(17)23)25-18(29)11-27(13-9-10-13)19(30)12-28-16-7-3-2-5-14(16)21(26-28)22(24)31;22-15-6-3-4-13(19(15)23)10-25-17(30)11-27(8-9-29)18(31)12-28-16-7-2-1-5-14(16)20(26-28)21(24)32;20-14-7-22-8-15(23-14)24-16(28)9-26(11-5-6-11)17(29)10-27-13-4-2-1-3-12(13)18(25-27)19(21)30;1-10(2)27(8-14(29)23-6-11-4-3-5-13(20)16(11)21)15(30)9-28-17-12(7-24-28)18(31)26-19(22)25-17/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);3-5,7-10,17H,2,6,11-13H2,1H3,(H2,26,32)(H,27,31);1-3,5-8,30H,4,9-13H2,(H2,25,33)(H,26,31);1-7,10,14H,8-9,11-12H2,(H2,26,33)(H,27,31);2-8,13H,9-12H2,1H3,(H2,24,31)(H,25,29);1-7,29H,8-12H2,(H2,24,32)(H,25,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28);3-5,7,10H,6,8-9H2,1-2H3,(H,23,29)(H3,22,25,26,31)/t;17-;;;;;;/m.0....../s1.
What are the key properties of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 3719.71 g/mol, XLogP of 15.89, 67 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158230689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).