3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide

C198H195Br2Cl8F8N39O26 — CID 158346709

IUPAC3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc2nc[nH]c(=O)c2n1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12
InChIInChI=1S/C31H30ClFN4O4.C29H28ClFN6O4.C28H28ClFN6O3.C24H23ClFN3O3.C23H24ClFN4O3.C22H20BrClFN5O3.C22H22BrClFN5O3.C19H20ClFN6O3/c1-19(2)37(17-28(39)34-15-22-8-7-11-26(32)30(22)33)29(40)18-36-16-25(20(3)38)24-14-21(12-13-27(24)36)31(41)35-23-9-5-4-6-10-23;1-17(2)37(14-26(39)34-10-20-5-4-6-24(30)28(20)31)27(40)15-36-13-23(18(3)38)22-9-19(7-8-25(22)36)29(41)35-21-11-32-16-33-12-21;1-17(2)36(14-25(37)34-12-20-4-3-5-23(29)27(20)30)26(38)15-35-13-22(28(31)39)21-9-18(6-7-24(21)35)8-19-10-32-16-33-11-19;1-15(30)19-12-28(21-8-3-2-6-18(19)21)14-23(32)29(17-9-10-17)13-22(31)27-11-16-5-4-7-20(25)24(16)26;1-14(2)29(12-20(30)27-10-15-6-5-8-18(24)22(15)25)21(31)13-28-11-17(23(26)32)16-7-3-4-9-19(16)28;23-13-4-7-17-15(8-13)21(22(26)33)28-30(17)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33;1-11(2)27(8-15(28)22-6-12-4-3-5-13(20)17(12)21)16(29)9-26-7-14-18(25-26)19(30)24-10-23-14/h4-14,16,19H,15,17-18H2,1-3H3,(H,34,39)(H,35,41);4-9,11-13,16-17H,10,14-15H2,1-3H3,(H,34,39)(H,35,41);3-7,9-11,13,16-17H,8,12,14-15H2,1-2H3,(H2,31,39)(H,34,37);2-8,12,17H,9-11,13-14H2,1H3,(H,27,31);3-9,11,14H,10,12-13H2,1-2H3,(H2,26,32)(H,27,30);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31);3-5,7,10-11H,6,8-9H2,1-2H3,(H,22,28)(H,23,24,30)
InChIKeyGRUXBASVTVPEIR-UHFFFAOYSA-N
MW4132.40 g/mol
LogP27.88
Rot. Bonds69

About 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide

3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide (PubChem CID 158346709) has the molecular formula C198H195Br2Cl8F8N39O26 and a molecular weight of 4132.40 g/mol. Its IUPAC name is 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide
PubChem CID158346709
Molecular FormulaC198H195Br2Cl8F8N39O26
Molecular Weight4132.40 g/mol
Exact Mass4124.09
IUPAC Name3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc2nc[nH]c(=O)c2n1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12
InChIInChI=1S/C31H30ClFN4O4.C29H28ClFN6O4.C28H28ClFN6O3.C24H23ClFN3O3.C23H24ClFN4O3.C22H20BrClFN5O3.C22H22BrClFN5O3.C19H20ClFN6O3/c1-19(2)37(17-28(39)34-15-22-8-7-11-26(32)30(22)33)29(40)18-36-16-25(20(3)38)24-14-21(12-13-27(24)36)31(41)35-23-9-5-4-6-10-23;1-17(2)37(14-26(39)34-10-20-5-4-6-24(30)28(20)31)27(40)15-36-13-23(18(3)38)22-9-19(7-8-25(22)36)29(41)35-21-11-32-16-33-12-21;1-17(2)36(14-25(37)34-12-20-4-3-5-23(29)27(20)30)26(38)15-35-13-22(28(31)39)21-9-18(6-7-24(21)35)8-19-10-32-16-33-11-19;1-15(30)19-12-28(21-8-3-2-6-18(19)21)14-23(32)29(17-9-10-17)13-22(31)27-11-16-5-4-7-20(25)24(16)26;1-14(2)29(12-20(30)27-10-15-6-5-8-18(24)22(15)25)21(31)13-28-11-17(23(26)32)16-7-3-4-9-19(16)28;23-13-4-7-17-15(8-13)21(22(26)33)28-30(17)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33;1-11(2)27(8-15(28)22-6-12-4-3-5-13(20)17(12)21)16(29)9-26-7-14-18(25-26)19(30)24-10-23-14/h4-14,16,19H,15,17-18H2,1-3H3,(H,34,39)(H,35,41);4-9,11-13,16-17H,10,14-15H2,1-3H3,(H,34,39)(H,35,41);3-7,9-11,13,16-17H,8,12,14-15H2,1-2H3,(H2,31,39)(H,34,37);2-8,12,17H,9-11,13-14H2,1H3,(H,27,31);3-9,11,14H,10,12-13H2,1-2H3,(H2,26,32)(H,27,30);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31);3-5,7,10-11H,6,8-9H2,1-2H3,(H,22,28)(H,23,24,30)
InChIKeyGRUXBASVTVPEIR-UHFFFAOYSA-N
XLogP27.88
TPSA852.47 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds69
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004132.40
LogP ≤ 527.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Analyze 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide?
The IUPAC name of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide (CID 158346709) is 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)Nc3cncnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Cc3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc2nc[nH]c(=O)c2n1.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.
What is the InChIKey of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide?
The InChIKey is GRUXBASVTVPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClFN4O4.C29H28ClFN6O4.C28H28ClFN6O3.C24H23ClFN3O3.C23H24ClFN4O3.C22H20BrClFN5O3.C22H22BrClFN5O3.C19H20ClFN6O3/c1-19(2)37(17-28(39)34-15-22-8-7-11-26(32)30(22)33)29(40)18-36-16-25(20(3)38)24-14-21(12-13-27(24)36)31(41)35-23-9-5-4-6-10-23;1-17(2)37(14-26(39)34-10-20-5-4-6-24(30)28(20)31)27(40)15-36-13-23(18(3)38)22-9-19(7-8-25(22)36)29(41)35-21-11-32-16-33-12-21;1-17(2)36(14-25(37)34-12-20-4-3-5-23(29)27(20)30)26(38)15-35-13-22(28(31)39)21-9-18(6-7-24(21)35)8-19-10-32-16-33-11-19;1-15(30)19-12-28(21-8-3-2-6-18(19)21)14-23(32)29(17-9-10-17)13-22(31)27-11-16-5-4-7-20(25)24(16)26;1-14(2)29(12-20(30)27-10-15-6-5-8-18(24)22(15)25)21(31)13-28-11-17(23(26)32)16-7-3-4-9-19(16)28;23-13-4-7-17-15(8-13)21(22(26)33)28-30(17)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33;1-11(2)27(8-15(28)22-6-12-4-3-5-13(20)17(12)21)16(29)9-26-7-14-18(25-26)19(30)24-10-23-14/h4-14,16,19H,15,17-18H2,1-3H3,(H,34,39)(H,35,41);4-9,11-13,16-17H,10,14-15H2,1-3H3,(H,34,39)(H,35,41);3-7,9-11,13,16-17H,8,12,14-15H2,1-2H3,(H2,31,39)(H,34,37);2-8,12,17H,9-11,13-14H2,1H3,(H,27,31);3-9,11,14H,10,12-13H2,1-2H3,(H2,26,32)(H,27,30);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31);3-5,7,10-11H,6,8-9H2,1-2H3,(H,22,28)(H,23,24,30).
What are the key properties of 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide?
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide has a molecular weight of 4132.40 g/mol, XLogP of 27.88, 69 rotatable bonds, 15 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]-propan-2-ylamino]-2-oxoethyl]-N-phenylindole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-pyrimidin-5-ylindole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(7-oxo-6H-pyrazolo[4,3-d]pyrimidin-2-yl)-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 158346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).