4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide

C₈₆H₉₂F₉N₂₁O₇ — CID 162059069

About 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide (PubChem CID 162059069) has the molecular formula C₈₆H₉₂F₉N₂₁O₇ and a molecular weight of 1702.80 g/mol. Its IUPAC name is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide
• PubChem CID: 162059069
• Molecular Formula: C₈₆H₉₂F₉N₂₁O₇
• Molecular Weight: 1702.80 g/mol
• Exact Mass: 1701.73
• IUPAC Name: 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide
• SMILES: CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N(C)C)cc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3C(=O)N(C)C)cc(F)c2[nH]1
• InChI: InChI=1S/C29H30F5N7O2.C29H33F2N7O2.C28H29F2N7O3/c1-16-11-19-24(31)22(13-21(30)25(19)37-16)43-27-23(28(42)39(2)3)26(35-15-36-27)38-18-6-5-17(20(12-18)29(32,33)34)14-41-9-7-40(4)8-10-41;1-5-37-10-12-38(13-11-37)16-19-6-8-20(9-7-19)35-27-24(29(39)36(3)4)28(33-17-32-27)40-23-15-22(30)26-21(25(23)31)14-18(2)34-26;1-16-13-19-23(30)21(14-20(29)24(19)33-16)40-26-22(28(39)35(2)3)25(31-15-32-26)34-18-7-5-17(6-8-18)27(38)37-11-9-36(4)10-12-37/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,35,36,38);6-9,14-15,17,34H,5,10-13,16H2,1-4H3,(H,32,33,35);5-8,13-15,33H,9-12H2,1-4H3,(H,31,32,34)
• InChIKey: YZORHRPPUWWPBO-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 285.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1702.80
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide?

The IUPAC name of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide (CID 162059069) is 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide is CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C(=O)N(C)C)cc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)c3C(=O)N(C)C)cc(F)c2[nH]1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3C(=O)N(C)C)cc(F)c2[nH]1.

What is the InChIKey of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide?

The InChIKey is YZORHRPPUWWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F5N7O2.C29H33F2N7O2.C28H29F2N7O3/c1-16-11-19-24(31)22(13-21(30)25(19)37-16)43-27-23(28(42)39(2)3)26(35-15-36-27)38-18-6-5-17(20(12-18)29(32,33)34)14-41-9-7-40(4)8-10-41;1-5-37-10-12-38(13-11-37)16-19-6-8-20(9-7-19)35-27-24(29(39)36(3)4)28(33-17-32-27)40-23-15-22(30)26-21(25(23)31)14-18(2)34-26;1-16-13-19-23(30)21(14-20(29)24(19)33-16)40-26-22(28(39)35(2)3)25(31-15-32-26)34-18-7-5-17(6-8-18)27(38)37-11-9-36(4)10-12-37/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,35,36,38);6-9,14-15,17,34H,5,10-13,16H2,1-4H3,(H,32,33,35);5-8,13-15,33H,9-12H2,1-4H3,(H,31,32,34).

What are the key properties of 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide?

4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide has a molecular weight of 1702.80 g/mol, XLogP of 14.64, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-ethylpiperazin-1-yl)methyl]anilino]-N,N-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 162059069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162059069 — identifiers, structure, computed properties (public domain)

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