6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine

C127H130F14N30O5 — CID 158133904

About 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine

6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine (PubChem CID 158133904) has the molecular formula C127H130F14N30O5 and a molecular weight of 2422.61 g/mol. Its IUPAC name is 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine
• PubChem CID: 158133904
• Molecular Formula: C127H130F14N30O5
• Molecular Weight: 2422.61 g/mol
• Exact Mass: 2421.06
• IUPAC Name: 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine
• SMILES: CCN1CCN(c2ccc(Nc3cc(Oc4cc(F)c5c(c4F)C=C(C)C5)ncn3)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5CC)c4F)c3F)cc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)cc(F)c2n1C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c2n1C
• InChI: InChI=1S/C27H29F3N6O.C26H27F3N6O.C25H25F3N6O.C25H26F2N6O.C24H23F3N6O/c1-4-34-10-12-35(13-11-34)19-8-6-18(7-9-19)33-26-24(30)27(32-16-31-26)37-22-15-21(28)25-20(23(22)29)14-17(3)36(25)5-2;1-4-34-9-11-35(12-10-34)18-7-5-17(6-8-18)32-25-23(29)26(31-15-30-25)36-21-14-20(27)24-19(22(21)28)13-16(2)33(24)3;1-15-12-18-21(27)20(13-19(26)23(18)33(15)3)35-25-22(28)24(29-14-30-25)31-16-4-6-17(7-5-16)34-10-8-32(2)9-11-34;1-3-32-6-8-33(9-7-32)17-4-5-22(28-14-17)31-23-13-24(30-15-29-23)34-21-12-20(26)18-10-16(2)11-19(18)25(21)27;1-14-11-17-20(26)19(12-18(25)22(17)32(14)2)34-24-21(27)23(29-13-30-24)31-15-3-5-16(6-4-15)33-9-7-28-8-10-33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,31,32,33);5-8,13-15H,4,9-12H2,1-3H3,(H,30,31,32);4-7,12-14H,8-11H2,1-3H3,(H,29,30,31);4-5,11-15H,3,6-10H2,1-2H3,(H,28,29,30,31);3-6,11-13,28H,7-10H2,1-2H3,(H,29,30,31)
• InChIKey: FTCNFJYCUMNBKC-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 309.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.61
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine?

The IUPAC name of 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine (CID 158133904) is 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine.

What is the SMILES notation for 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine?

The canonical SMILES for 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine is CCN1CCN(c2ccc(Nc3cc(Oc4cc(F)c5c(c4F)C=C(C)C5)ncn3)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5CC)c4F)c3F)cc2)CC1.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)cc(F)c2n1C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c2n1C.

What is the InChIKey of 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine?

The InChIKey is FTCNFJYCUMNBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O.C26H27F3N6O.C25H25F3N6O.C25H26F2N6O.C24H23F3N6O/c1-4-34-10-12-35(13-11-34)19-8-6-18(7-9-19)33-26-24(30)27(32-16-31-26)37-22-15-21(28)25-20(23(22)29)14-17(3)36(25)5-2;1-4-34-9-11-35(12-10-34)18-7-5-17(6-8-18)32-25-23(29)26(31-15-30-25)36-21-14-20(27)24-19(22(21)28)13-16(2)33(24)3;1-15-12-18-21(27)20(13-19(26)23(18)33(15)3)35-25-22(28)24(29-14-30-25)31-16-4-6-17(7-5-16)34-10-8-32(2)9-11-34;1-3-32-6-8-33(9-7-32)17-4-5-22(28-14-17)31-23-13-24(30-15-29-23)34-21-12-20(26)18-10-16(2)11-19(18)25(21)27;1-14-11-17-20(26)19(12-18(25)22(17)32(14)2)34-24-21(27)23(29-13-30-24)31-15-3-5-16(6-4-15)33-9-7-28-8-10-33/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,31,32,33);5-8,13-15H,4,9-12H2,1-3H3,(H,30,31,32);4-7,12-14H,8-11H2,1-3H3,(H,29,30,31);4-5,11-15H,3,6-10H2,1-2H3,(H,28,29,30,31);3-6,11-13,28H,7-10H2,1-2H3,(H,29,30,31).

What are the key properties of 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine?

6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine has a molecular weight of 2422.61 g/mol, XLogP of 25.63, 29 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 158133904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).