2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide

C185H187BrCl7F8N37O21 — CID 158833719

IUPAC2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Cc3cccnn3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cnc(N(C)C)nc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Br)ccc21.C[C@@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)cnc1F
InChIInChI=1S/C29H28ClF2N5O3.C29H31ClFN7O3.C29H29ClFN5O3.C27H26ClFN6O3.2C24H25ClFN5O3.C23H23BrClFN4O3/c1-16(2)37(14-25(38)34-11-19-5-4-6-23(30)27(19)31)26(39)15-36-13-22(29(33)40)21-10-18(7-8-24(21)36)20-9-17(3)28(32)35-12-20;1-17(2)38(15-25(39)33-11-19-6-5-7-23(30)27(19)31)26(40)16-37-14-22(28(32)41)21-10-18(8-9-24(21)37)20-12-34-29(35-13-20)36(3)4;1-18(2)36(16-27(38)32-14-21-6-4-8-25(30)29(21)31)28(39)17-35-15-24(19(3)37)23-13-20(9-10-26(23)35)12-22-7-5-11-33-34-22;1-16(2)35(13-24(36)33-11-18-4-3-5-22(28)26(18)29)25(37)14-34-12-21(27(30)38)20-8-17(6-7-23(20)34)19-9-31-15-32-10-19;2*1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-13(2)30(11-20(31)28-9-14-4-3-5-18(25)22(14)26)21(32)12-29-10-17(23(27)33)16-8-15(24)6-7-19(16)29/h4-10,12-13,16H,11,14-15H2,1-3H3,(H2,33,40)(H,34,38);5-10,12-14,17H,11,15-16H2,1-4H3,(H2,32,41)(H,33,39);4-11,13,15,18H,12,14,16-17H2,1-3H3,(H,32,38);3-10,12,15-16H,11,13-14H2,1-2H3,(H2,30,38)(H,33,36);2*2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);3-8,10,13H,9,11-12H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;2*14-;/m....10./s1
InChIKeyIXJDBMRVBZBRMY-ZPCRJWSOSA-N
MW3744.83 g/mol
LogP25.91
Rot. Bonds64

About 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide

2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide (PubChem CID 158833719) has the molecular formula C185H187BrCl7F8N37O21 and a molecular weight of 3744.83 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide
PubChem CID158833719
Molecular FormulaC185H187BrCl7F8N37O21
Molecular Weight3744.83 g/mol
Exact Mass3738.16
IUPAC Name2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Cc3cccnn3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cnc(N(C)C)nc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Br)ccc21.C[C@@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)cnc1F
InChIInChI=1S/C29H28ClF2N5O3.C29H31ClFN7O3.C29H29ClFN5O3.C27H26ClFN6O3.2C24H25ClFN5O3.C23H23BrClFN4O3/c1-16(2)37(14-25(38)34-11-19-5-4-6-23(30)27(19)31)26(39)15-36-13-22(29(33)40)21-10-18(7-8-24(21)36)20-9-17(3)28(32)35-12-20;1-17(2)38(15-25(39)33-11-19-6-5-7-23(30)27(19)31)26(40)16-37-14-22(28(32)41)21-10-18(8-9-24(21)37)20-12-34-29(35-13-20)36(3)4;1-18(2)36(16-27(38)32-14-21-6-4-8-25(30)29(21)31)28(39)17-35-15-24(19(3)37)23-13-20(9-10-26(23)35)12-22-7-5-11-33-34-22;1-16(2)35(13-24(36)33-11-18-4-3-5-22(28)26(18)29)25(37)14-34-12-21(27(30)38)20-8-17(6-7-23(20)34)19-9-31-15-32-10-19;2*1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-13(2)30(11-20(31)28-9-14-4-3-5-18(25)22(14)26)21(32)12-29-10-17(23(27)33)16-8-15(24)6-7-19(16)29/h4-10,12-13,16H,11,14-15H2,1-3H3,(H2,33,40)(H,34,38);5-10,12-14,17H,11,15-16H2,1-4H3,(H2,32,41)(H,33,39);4-11,13,15,18H,12,14,16-17H2,1-3H3,(H,32,38);3-10,12,15-16H,11,13-14H2,1-2H3,(H2,30,38)(H,33,36);2*2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);3-8,10,13H,9,11-12H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;2*14-;/m....10./s1
InChIKeyIXJDBMRVBZBRMY-ZPCRJWSOSA-N
XLogP25.91
TPSA775.24 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds64
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003744.83
LogP ≤ 525.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide?
The IUPAC name of 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide (CID 158833719) is 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide.
What is the SMILES notation for 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide?
The canonical SMILES for 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Cc3cccnn3)cc12.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cnc(N(C)C)nc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(-c3cncnc3)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(N)=O)c2cc(Br)ccc21.C[C@@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.Cc1cc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)cnc1F.
What is the InChIKey of 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide?
The InChIKey is IXJDBMRVBZBRMY-ZPCRJWSOSA-N. The full InChI is InChI=1S/C29H28ClF2N5O3.C29H31ClFN7O3.C29H29ClFN5O3.C27H26ClFN6O3.2C24H25ClFN5O3.C23H23BrClFN4O3/c1-16(2)37(14-25(38)34-11-19-5-4-6-23(30)27(19)31)26(39)15-36-13-22(29(33)40)21-10-18(7-8-24(21)36)20-9-17(3)28(32)35-12-20;1-17(2)38(15-25(39)33-11-19-6-5-7-23(30)27(19)31)26(40)16-37-14-22(28(32)41)21-10-18(8-9-24(21)37)20-12-34-29(35-13-20)36(3)4;1-18(2)36(16-27(38)32-14-21-6-4-8-25(30)29(21)31)28(39)17-35-15-24(19(3)37)23-13-20(9-10-26(23)35)12-22-7-5-11-33-34-22;1-16(2)35(13-24(36)33-11-18-4-3-5-22(28)26(18)29)25(37)14-34-12-21(27(30)38)20-8-17(6-7-23(20)34)19-9-31-15-32-10-19;2*1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-13(2)30(11-20(31)28-9-14-4-3-5-18(25)22(14)26)21(32)12-29-10-17(23(27)33)16-8-15(24)6-7-19(16)29/h4-10,12-13,16H,11,14-15H2,1-3H3,(H2,33,40)(H,34,38);5-10,12-14,17H,11,15-16H2,1-4H3,(H2,32,41)(H,33,39);4-11,13,15,18H,12,14,16-17H2,1-3H3,(H,32,38);3-10,12,15-16H,11,13-14H2,1-2H3,(H2,30,38)(H,33,36);2*2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);3-8,10,13H,9,11-12H2,1-2H3,(H2,27,33)(H,28,31)/t;;;;2*14-;/m....10./s1.
What are the key properties of 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide?
2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide has a molecular weight of 3744.83 g/mol, XLogP of 25.91, 64 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(pyridazin-3-ylmethyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(6-fluoro-5-methyl-3-pyridinyl)indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide is sourced from PubChem (CID 158833719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).