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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide

C141H149BrCl4F4N36O17 — CID 160853588

IUPAC1-[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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N(C)C3CCN(C)CC3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.CN1CCC(NC(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.N#CC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C36H41ClFN7O4.C30H35ClFN7O4.C27H27ClFN7O3.C24H24BrN9O3.C24H22ClFN6O3/c1-22(2)44(20-31(46)40-29-11-7-9-26(34(29)38)25-8-5-6-10-28(25)37)33(48)21-45-30-13-12-23(18-27(30)35(41-45)36(39)49)19-32(47)43(4)24-14-16-42(3)17-15-24;1-37-11-9-20(10-12-37)35-25(40)14-18-5-8-24-22(13-18)29(30(33)43)36-39(24)17-27(42)38(21-6-7-21)16-26(41)34-15-19-3-2-4-23(31)28(19)32;1-16(2)35(13-23(37)33-12-19-4-3-5-21(28)25(19)29)24(38)14-36-22-7-6-17(8-18-10-31-15-32-11-18)9-20(22)26(34-36)27(30)39;1-14(2)33(11-21(35)31-20-5-3-4-19(25)30-20)22(36)12-34-18-7-6-15(29-16-9-27-13-28-10-16)8-17(18)23(32-34)24(26)37;25-18-6-3-4-15(22(18)26)11-29-20(33)12-31(16-8-14(9-16)10-27)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35/h5-13,18,22,24H,14-17,19-21H2,1-4H3,(H2,39,49)(H,40,46);2-5,8,13,20-21H,6-7,9-12,14-17H2,1H3,(H2,33,43)(H,34,41)(H,35,40);3-7,9-11,15-16H,8,12-14H2,1-2H3,(H2,30,39)(H,33,37);3-10,13-14,29H,11-12H2,1-2H3,(H2,26,37)(H,30,31,35);1-7,14,16H,8-9,11-13H2,(H2,28,35)(H,29,33)
InChIKeySJORYUJFKUFURW-UHFFFAOYSA-N
MW2917.69 g/mol
LogP14.49
Rot. Bonds49

About 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 160853588) has the molecular formula C141H149BrCl4F4N36O17 and a molecular weight of 2917.69 g/mol. Its IUPAC name is 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID160853588
Molecular FormulaC141H149BrCl4F4N36O17
Molecular Weight2917.69 g/mol
Exact Mass2912.98
IUPAC Name1-[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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N(C)C3CCN(C)CC3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.CN1CCC(NC(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.N#CC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C36H41ClFN7O4.C30H35ClFN7O4.C27H27ClFN7O3.C24H24BrN9O3.C24H22ClFN6O3/c1-22(2)44(20-31(46)40-29-11-7-9-26(34(29)38)25-8-5-6-10-28(25)37)33(48)21-45-30-13-12-23(18-27(30)35(41-45)36(39)49)19-32(47)43(4)24-14-16-42(3)17-15-24;1-37-11-9-20(10-12-37)35-25(40)14-18-5-8-24-22(13-18)29(30(33)43)36-39(24)17-27(42)38(21-6-7-21)16-26(41)34-15-19-3-2-4-23(31)28(19)32;1-16(2)35(13-23(37)33-12-19-4-3-5-21(28)25(19)29)24(38)14-36-22-7-6-17(8-18-10-31-15-32-11-18)9-20(22)26(34-36)27(30)39;1-14(2)33(11-21(35)31-20-5-3-4-19(25)30-20)22(36)12-34-18-7-6-15(29-16-9-27-13-28-10-16)8-17(18)23(32-34)24(26)37;25-18-6-3-4-15(22(18)26)11-29-20(33)12-31(16-8-14(9-16)10-27)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35/h5-13,18,22,24H,14-17,19-21H2,1-4H3,(H2,39,49)(H,40,46);2-5,8,13,20-21H,6-7,9-12,14-17H2,1H3,(H2,33,43)(H,34,41)(H,35,40);3-7,9-11,15-16H,8,12-14H2,1-2H3,(H2,30,39)(H,33,37);3-10,13-14,29H,11-12H2,1-2H3,(H2,26,37)(H,30,31,35);1-7,14,16H,8-9,11-13H2,(H2,28,35)(H,29,33)
InChIKeySJORYUJFKUFURW-UHFFFAOYSA-N
XLogP14.49
TPSA707.76 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002917.69
LogP ≤ 514.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine
CID 160703440
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(methylamino)indazole-3-carboxamide
CID 130323110
5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300007
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid
CID 160912938
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299903
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(2-morpholin-4-yl-2-oxoethyl)indazole-3-carboxamide
CID 147398885
5-(tert-butylcarbamoylamino)-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 158932124
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-4-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300094
N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide
CID 134191924
2-[3-acetyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide
CID 158849232
5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;methane;phenylmethanamine
CID 162184733
4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 138636299

Frequently Asked Questions

What is the IUPAC name of 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 160853588) is 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(CC(=O)N(C)C3CCN(C)CC3)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.CN1CCC(NC(=O)Cc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)CC1.N#CC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.
What is the InChIKey of 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is SJORYUJFKUFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41ClFN7O4.C30H35ClFN7O4.C27H27ClFN7O3.C24H24BrN9O3.C24H22ClFN6O3/c1-22(2)44(20-31(46)40-29-11-7-9-26(34(29)38)25-8-5-6-10-28(25)37)33(48)21-45-30-13-12-23(18-27(30)35(41-45)36(39)49)19-32(47)43(4)24-14-16-42(3)17-15-24;1-37-11-9-20(10-12-37)35-25(40)14-18-5-8-24-22(13-18)29(30(33)43)36-39(24)17-27(42)38(21-6-7-21)16-26(41)34-15-19-3-2-4-23(31)28(19)32;1-16(2)35(13-23(37)33-12-19-4-3-5-21(28)25(19)29)24(38)14-36-22-7-6-17(8-18-10-31-15-32-11-18)9-20(22)26(34-36)27(30)39;1-14(2)33(11-21(35)31-20-5-3-4-19(25)30-20)22(36)12-34-18-7-6-15(29-16-9-27-13-28-10-16)8-17(18)23(32-34)24(26)37;25-18-6-3-4-15(22(18)26)11-29-20(33)12-31(16-8-14(9-16)10-27)21(34)13-32-19-7-2-1-5-17(19)23(30-32)24(28)35/h5-13,18,22,24H,14-17,19-21H2,1-4H3,(H2,39,49)(H,40,46);2-5,8,13,20-21H,6-7,9-12,14-17H2,1H3,(H2,33,43)(H,34,41)(H,35,40);3-7,9-11,15-16H,8,12-14H2,1-2H3,(H2,30,39)(H,33,37);3-10,13-14,29H,11-12H2,1-2H3,(H2,26,37)(H,30,31,35);1-7,14,16H,8-9,11-13H2,(H2,28,35)(H,29,33).
What are the key properties of 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2917.69 g/mol, XLogP of 14.49, 49 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]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]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 160853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).