6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone

C133H139F15N30O6 — CID 160892056

About 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone

6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone (PubChem CID 160892056) has the molecular formula C133H139F15N30O6 and a molecular weight of 2538.75 g/mol. Its IUPAC name is 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone
• PubChem CID: 160892056
• Molecular Formula: C133H139F15N30O6
• Molecular Weight: 2538.75 g/mol
• Exact Mass: 2537.13
• IUPAC Name: 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone
• SMILES: CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)=O)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)C)c4F)c3F)cc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)cc(F)c2n1C(C)C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c2n1C(C)C
• InChI: InChI=1S/C28H31F3N6O.C27H27F3N6O2.C27H29F3N6O.C26H27F3N6O.C25H25F3N6O/c1-5-35-10-12-36(13-11-35)20-8-6-19(7-9-20)34-27-25(31)28(33-16-32-27)38-23-15-22(29)26-21(24(23)30)14-18(4)37(26)17(2)3;1-4-34-9-11-35(12-10-34)19-7-5-18(6-8-19)33-26-24(30)27(32-15-31-26)38-22-14-21(28)25-20(23(22)29)13-16(2)36(25)17(3)37;1-16(2)36-17(3)13-20-23(29)22(14-21(28)25(20)36)37-27-24(30)26(31-15-32-27)33-18-5-7-19(8-6-18)35-11-9-34(4)10-12-35;1-15(2)35-16(3)12-19-22(28)21(13-20(27)24(19)35)36-26-23(29)25(31-14-32-26)33-17-4-6-18(7-5-17)34-10-8-30-9-11-34;1-3-34-15(2)12-18-21(27)20(13-19(26)23(18)34)35-25-22(28)24(30-14-31-25)32-16-4-6-17(7-5-16)33-10-8-29-9-11-33/h6-9,14-17H,5,10-13H2,1-4H3,(H,32,33,34);5-8,13-15H,4,9-12H2,1-3H3,(H,31,32,33);5-8,13-16H,9-12H2,1-4H3,(H,31,32,33);4-7,12-15,30H,8-11H2,1-3H3,(H,31,32,33);4-7,12-14,29H,3,8-11H2,1-2H3,(H,30,31,32)
• InChIKey: SOKCCVRQKDFUKL-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 326.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.75
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone?

The IUPAC name of 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone (CID 160892056) is 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone.

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

The canonical SMILES for 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone is CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)=O)c4F)c3F)cc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)C)c4F)c3F)cc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4)c3F)cc(F)c2n1C(C)C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cc4)c3F)cc(F)c2n1C(C)C.

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

The InChIKey is SOKCCVRQKDFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6O.C27H27F3N6O2.C27H29F3N6O.C26H27F3N6O.C25H25F3N6O/c1-5-35-10-12-36(13-11-35)20-8-6-19(7-9-20)34-27-25(31)28(33-16-32-27)38-23-15-22(29)26-21(24(23)30)14-18(4)37(26)17(2)3;1-4-34-9-11-35(12-10-34)19-7-5-18(6-8-19)33-26-24(30)27(32-15-31-26)38-22-14-21(28)25-20(23(22)29)13-16(2)36(25)17(3)37;1-16(2)36-17(3)13-20-23(29)22(14-21(28)25(20)36)37-27-24(30)26(31-15-32-27)33-18-5-7-19(8-6-18)35-11-9-34(4)10-12-35;1-15(2)35-16(3)12-19-22(28)21(13-20(27)24(19)35)36-26-23(29)25(31-14-32-26)33-17-4-6-18(7-5-17)34-10-8-30-9-11-34;1-3-34-15(2)12-18-21(27)20(13-19(26)23(18)34)35-25-22(28)24(30-14-31-25)32-16-4-6-17(7-5-16)33-10-8-29-9-11-33/h6-9,14-17H,5,10-13H2,1-4H3,(H,32,33,34);5-8,13-15H,4,9-12H2,1-3H3,(H,31,32,33);5-8,13-16H,9-12H2,1-4H3,(H,31,32,33);4-7,12-15,30H,8-11H2,1-3H3,(H,31,32,33);4-7,12-14,29H,3,8-11H2,1-2H3,(H,30,31,32).

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

6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone has a molecular weight of 2538.75 g/mol, XLogP of 28.74, 31 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;1-[5-[6-[4-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]oxy-4,7-difluoro-2-methylindol-1-yl]ethanone is sourced from PubChem (CID 160892056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).