3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide

C185H183Cl7F9N35O28 — CID 160520412

IUPAC3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccncc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21
InChIInChI=1S/C33H33ClF3N7O4.C29H29ClFN7O4.C26H25ClFN7O4.C25H24ClFN4O5.C24H22ClFN4O5.2C24H25ClFN3O3/c1-19(2)43(16-27(45)40-25-10-5-8-22(29(25)35)21-7-3-4-9-24(21)34)28(46)17-44-26-12-11-20(15-23(26)30(41-44)31(38)47)39-32(48)42-14-6-13-33(36,37)18-42;1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18;1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;1-14(33)25-18-9-15(21(34)13-32)5-8-20(18)31(29-25)12-23(36)30(17-6-7-17)11-22(35)28-10-16-3-2-4-19(26)24(16)27;1-13(31)23-17-9-14(24(34)35)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-15-3-2-4-18(25)22(15)26;2*1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21/h3-5,7-12,15,19H,6,13-14,16-18H2,1-2H3,(H2,38,47)(H,39,48)(H,40,45);3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42);3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);2-5,8-9,17,32H,6-7,10-13H2,1H3,(H,28,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32)(H,34,35);2*4-10,13,15H,11-12,14H2,1-3H3,(H,27,31)
InChIKeyQUETWYKNENQOMO-UHFFFAOYSA-N
MW3763.87 g/mol
LogP25.53
Rot. Bonds63

About 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide

3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide (PubChem CID 160520412) has the molecular formula C185H183Cl7F9N35O28 and a molecular weight of 3763.87 g/mol. Its IUPAC name is 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
PubChem CID160520412
Molecular FormulaC185H183Cl7F9N35O28
Molecular Weight3763.87 g/mol
Exact Mass3758.16
IUPAC Name3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccncc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21
InChIInChI=1S/C33H33ClF3N7O4.C29H29ClFN7O4.C26H25ClFN7O4.C25H24ClFN4O5.C24H22ClFN4O5.2C24H25ClFN3O3/c1-19(2)43(16-27(45)40-25-10-5-8-22(29(25)35)21-7-3-4-9-24(21)34)28(46)17-44-26-12-11-20(15-23(26)30(41-44)31(38)47)39-32(48)42-14-6-13-33(36,37)18-42;1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18;1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;1-14(33)25-18-9-15(21(34)13-32)5-8-20(18)31(29-25)12-23(36)30(17-6-7-17)11-22(35)28-10-16-3-2-4-19(26)24(16)27;1-13(31)23-17-9-14(24(34)35)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-15-3-2-4-18(25)22(15)26;2*1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21/h3-5,7-12,15,19H,6,13-14,16-18H2,1-2H3,(H2,38,47)(H,39,48)(H,40,45);3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42);3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);2-5,8-9,17,32H,6-7,10-13H2,1H3,(H,28,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32)(H,34,35);2*4-10,13,15H,11-12,14H2,1-3H3,(H,27,31)
InChIKeyQUETWYKNENQOMO-UHFFFAOYSA-N
XLogP25.53
TPSA826.32 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds63
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003763.87
LogP ≤ 525.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide with MolForge

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Related Compounds

3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-pyrimidin-2-ylethynyl)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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide
CID 157116305
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)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-4-ylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide
CID 157390680
CID 157832076
CID 157832076
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;5-(benzylcarbamoylamino)-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-pyrimidin-5-ylindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[3-(hydroxymethyl)cyclobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpiperazine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4-methylpyrimidin-2-yl)methoxy]indazole-3-carboxamide
CID 157885001
CID 158163247
CID 158163247
CID 158663701
CID 158663701
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
CID 159840368
CID 160172935
CID 160172935
N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]-3,3-difluoropiperidine-1-carboxamide;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;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;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide
CID 160765053
dipotassium;2-bromopyrimidine;2-(3-carbamoyl-5-pyrimidin-2-yloxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;oxido formate;1-(2-oxopropyl)-5-pyrimidin-2-yloxyindazole-3-carboxamide;2,2,2-trifluoroacetaldehyde
CID 161038642
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
CID 161286574
CID 161286574

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide?
The IUPAC name of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide (CID 160520412) is 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide.
What is the SMILES notation for 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide?
The canonical SMILES for 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)CO)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)O)cc12.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(=O)n1cc(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)NCc3ccncc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3ncccn3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.
What is the InChIKey of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide?
The InChIKey is QUETWYKNENQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClF3N7O4.C29H29ClFN7O4.C26H25ClFN7O4.C25H24ClFN4O5.C24H22ClFN4O5.2C24H25ClFN3O3/c1-19(2)43(16-27(45)40-25-10-5-8-22(29(25)35)21-7-3-4-9-24(21)34)28(46)17-44-26-12-11-20(15-23(26)30(41-44)31(38)47)39-32(48)42-14-6-13-33(36,37)18-42;1-17(2)37(15-24(39)34-14-20-4-3-5-22(30)26(20)31)25(40)16-38-23-7-6-19(12-21(23)27(36-38)28(32)41)29(42)35-13-18-8-10-33-11-9-18;1-15(2)34(13-21(36)32-12-16-5-3-6-19(27)23(16)28)22(37)14-35-20-8-7-17(39-26-30-9-4-10-31-26)11-18(20)24(33-35)25(29)38;1-14(33)25-18-9-15(21(34)13-32)5-8-20(18)31(29-25)12-23(36)30(17-6-7-17)11-22(35)28-10-16-3-2-4-19(26)24(16)27;1-13(31)23-17-9-14(24(34)35)5-8-19(17)30(28-23)12-21(33)29(16-6-7-16)11-20(32)27-10-15-3-2-4-18(25)22(15)26;2*1-15(2)28(14-22(31)27-12-17-7-6-9-20(25)24(17)26)23(32)11-18-13-29(16(3)30)21-10-5-4-8-19(18)21/h3-5,7-12,15,19H,6,13-14,16-18H2,1-2H3,(H2,38,47)(H,39,48)(H,40,45);3-12,17H,13-16H2,1-2H3,(H2,32,41)(H,34,39)(H,35,42);3-11,15H,12-14H2,1-2H3,(H2,29,38)(H,32,36);2-5,8-9,17,32H,6-7,10-13H2,1H3,(H,28,35);2-5,8-9,16H,6-7,10-12H2,1H3,(H,27,32)(H,34,35);2*4-10,13,15H,11-12,14H2,1-3H3,(H,27,31).
What are the key properties of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide?
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide has a molecular weight of 3763.87 g/mol, XLogP of 25.53, 63 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylic acid;2-[3-acetyl-5-(2-hydroxyacetyl)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;bis(2-(1-acetylindol-3-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-4-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-2-yloxyindazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide is sourced from PubChem (CID 160520412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).