6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine

C128H136F10N30O5 — CID 158203576

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

6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine (PubChem CID 158203576) has the molecular formula C128H136F10N30O5 and a molecular weight of 2364.68 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine
• PubChem CID: 158203576
• Molecular Formula: C128H136F10N30O5
• Molecular Weight: 2364.68 g/mol
• Exact Mass: 2363.12
• IUPAC Name: 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine
• SMILES: CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5C)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5CC)c4F)c3F)cc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)ccc21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)ccc2n1C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)ccc2n1C
• InChI: InChI=1S/C27H30F2N6O.2C26H28F2N6O.C25H26F2N6O.C24H24F2N6O/c1-4-33-12-14-34(15-13-33)20-8-6-19(7-9-20)32-26-25(29)27(31-17-30-26)36-23-11-10-22-21(24(23)28)16-18(3)35(22)5-2;1-4-33-11-13-34(14-12-33)19-7-5-18(6-8-19)31-25-24(28)26(30-16-29-25)35-22-10-9-21-20(23(22)27)15-17(2)32(21)3;1-4-34-17(2)15-20-21(34)9-10-22(23(20)27)35-26-24(28)25(29-16-30-26)31-18-5-7-19(8-6-18)33-13-11-32(3)12-14-33;1-16-14-19-20(32(16)3)8-9-21(22(19)26)34-25-23(27)24(28-15-29-25)30-17-4-6-18(7-5-17)33-12-10-31(2)11-13-33;1-15-13-18-19(31(15)2)7-8-20(21(18)25)33-24-22(26)23(28-14-29-24)30-16-3-5-17(6-4-16)32-11-9-27-10-12-32/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,30,31,32);2*5-10,15-16H,4,11-14H2,1-3H3,(H,29,30,31);4-9,14-15H,10-13H2,1-3H3,(H,28,29,30);3-8,13-14,27H,9-12H2,1-2H3,(H,28,29,30)
• InChIKey: GBFNEEGDJUITCG-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 301.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.68
LogP ≤ 5	25.62
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-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine?

The IUPAC name of 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine (CID 158203576) is 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine.

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

The canonical SMILES for 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5C)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4ccc5c(cc(C)n5CC)c4F)c3F)cc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)ccc21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)ccc2n1C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)ccc2n1C.

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

The InChIKey is GBFNEEGDJUITCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O.2C26H28F2N6O.C25H26F2N6O.C24H24F2N6O/c1-4-33-12-14-34(15-13-33)20-8-6-19(7-9-20)32-26-25(29)27(31-17-30-26)36-23-11-10-22-21(24(23)28)16-18(3)35(22)5-2;1-4-33-11-13-34(14-12-33)19-7-5-18(6-8-19)31-25-24(28)26(30-16-29-25)35-22-10-9-21-20(23(22)27)15-17(2)32(21)3;1-4-34-17(2)15-20-21(34)9-10-22(23(20)27)35-26-24(28)25(29-16-30-26)31-18-5-7-19(8-6-18)33-13-11-32(3)12-14-33;1-16-14-19-20(32(16)3)8-9-21(22(19)26)34-25-23(27)24(28-15-29-25)30-17-4-6-18(7-5-17)33-12-10-31(2)11-13-33;1-15-13-18-19(31(15)2)7-8-20(21(18)25)33-24-22(26)23(28-14-29-24)30-16-3-5-17(6-4-16)32-11-9-27-10-12-32/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,30,31,32);2*5-10,15-16H,4,11-14H2,1-3H3,(H,29,30,31);4-9,14-15H,10-13H2,1-3H3,(H,28,29,30);3-8,13-14,27H,9-12H2,1-2H3,(H,28,29,30).

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

6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine has a molecular weight of 2364.68 g/mol, XLogP of 25.62, 29 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxy-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 158203576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).