1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

C130H130Br2Cl4F5N33O20 — CID 158611840

IUPAC1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C23H23ClFN5O3.C22H21ClFN5O5.C21H23BrN6O3.C21H20ClF2N5O3.C19H18BrN7O3/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;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)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/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);1-7H,8-12H2,(H2,25,32)(H,26,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28)
InChIKeyHWXUDYMNDAUUBN-UHFFFAOYSA-N
MW2871.29 g/mol
LogP12.80
Rot. Bonds49

About 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate

1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate (PubChem CID 158611840) has the molecular formula C130H130Br2Cl4F5N33O20 and a molecular weight of 2871.29 g/mol. Its IUPAC name is 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
PubChem CID158611840
Molecular FormulaC130H130Br2Cl4F5N33O20
Molecular Weight2871.29 g/mol
Exact Mass2865.72
IUPAC Name1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate
SMILESCC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C24H25ClFN5O3.C23H23ClFN5O3.C22H21ClFN5O5.C21H23BrN6O3.C21H20ClF2N5O3.C19H18BrN7O3/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;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)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/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);1-7H,8-12H2,(H2,25,32)(H,26,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28)
InChIKeyHWXUDYMNDAUUBN-UHFFFAOYSA-N
XLogP12.80
TPSA726.89 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002871.29
LogP ≤ 512.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

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-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]piperidine-1-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(cyclohexylcarbamoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(pyridin-2-ylcarbamoylamino)indazole-3-carboxamide
CID 159421950
tert-butyl 2-(5-bromo-3-isocyanopyrazolo[3,4-c]pyridin-1-yl)acetate;2-[[2-(3-carbamoylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-cyclopropylamino]acetic acid;(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 2-(cyclopropylamino)acetate;ethyl 2-[cyclopropyl-[2-(3-isocyanopyrazolo[5,4-c]pyridin-1-yl)acetyl]amino]acetate;2-(3-isocyanopyrazolo[5,4-c]pyridin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 160110086
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
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
1-[2-[[3-[(6-Bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[4-(3-chloro-2-fluorophenyl)-2-oxobutyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-chloro-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 157076704
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
CID 157137723
CID 157137723
1-[2-[Tert-butyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)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-[cyclopropyl-[2-[(6-ethenyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-[(6-ethyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 157200661

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The IUPAC name of 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)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 158611840) is 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The canonical SMILES for 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is CC(C)N(CCC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.COC(=O)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCF)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
The InChIKey is HWXUDYMNDAUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O3.C23H23ClFN5O3.C22H21ClFN5O5.C21H23BrN6O3.C21H20ClF2N5O3.C19H18BrN7O3/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;24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-34-19(32)12-28(10-17(30)26-9-13-5-4-7-15(23)20(13)24)18(31)11-29-16-8-3-2-6-14(16)21(27-29)22(25)33;1-13(2)27(11-10-18(29)25-17-9-5-8-16(22)24-17)19(30)12-28-15-7-4-3-6-14(15)20(26-28)21(23)31;22-15-6-3-4-13(19(15)24)10-26-17(30)11-28(9-8-23)18(31)12-29-16-7-2-1-5-14(16)20(27-29)21(25)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/h3-6,9-11,16H,1-2,7-8,12-14H2,(H2,27,34)(H,28,32);1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);2-8H,9-12H2,1H3,(H2,25,33)(H,26,30);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,25,29);1-7H,8-12H2,(H2,25,32)(H,26,30);1-4,7-8,11H,5-6,9-10H2,(H2,21,30)(H,23,24,28).
What are the key properties of 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate?
1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate has a molecular weight of 2871.29 g/mol, XLogP of 12.80, 49 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[3-[(6-bromo-2-pyridinyl)amino]-3-oxopropyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-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-fluoroethyl)amino]-2-oxoethyl]indazole-3-carboxamide;methyl 2-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 158611840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).