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

C127H134F15N35O5 — CID 158046447

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

6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 158046447) has the molecular formula C127H134F15N35O5 and a molecular weight of 2515.68 g/mol. Its IUPAC name is 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
• PubChem CID: 158046447
• Molecular Formula: C127H134F15N35O5
• Molecular Weight: 2515.68 g/mol
• Exact Mass: 2514.11
• IUPAC Name: 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
• SMILES: CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)C)c4F)c3F)nc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c21.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)cc(F)c21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c2n1C(C)C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)cc(F)c2n1C(C)C
• InChI: InChI=1S/C27H30F3N7O.C26H28F3N7O.2C25H26F3N7O.C24H24F3N7O/c1-5-35-8-10-36(11-9-35)18-6-7-22(31-14-18)34-26-24(30)27(33-15-32-26)38-21-13-20(28)25-19(23(21)29)12-17(4)37(25)16(2)3;1-15(2)36-16(3)11-18-22(28)20(12-19(27)24(18)36)37-26-23(29)25(31-14-32-26)33-21-6-5-17(13-30-21)35-9-7-34(4)8-10-35;1-14(2)35-15(3)10-17-21(27)19(11-18(26)23(17)35)36-25-22(28)24(31-13-32-25)33-20-5-4-16(12-30-20)34-8-6-29-7-9-34;1-4-35-15(2)11-17-21(27)19(12-18(26)23(17)35)36-25-22(28)24(30-14-31-25)32-20-6-5-16(13-29-20)34-9-7-33(3)8-10-34;1-3-34-14(2)10-16-20(26)18(11-17(25)22(16)34)35-24-21(27)23(30-13-31-24)32-19-5-4-15(12-29-19)33-8-6-28-7-9-33/h6-7,12-16H,5,8-11H2,1-4H3,(H,31,32,33,34);5-6,11-15H,7-10H2,1-4H3,(H,30,31,32,33);4-5,10-14,29H,6-9H2,1-3H3,(H,30,31,32,33);5-6,11-14H,4,7-10H2,1-3H3,(H,29,30,31,32);4-5,10-13,28H,3,6-9H2,1-2H3,(H,29,30,31,32)
• InChIKey: FIYTYWKNKIJVSV-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 374.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.68
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (CID 158046447) is 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

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

The canonical SMILES for 6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(cc(C)n5C(C)C)c4F)c3F)nc2)CC1.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c21.CCn1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)cc(F)c21.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c2n1C(C)C.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)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-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?

The InChIKey is FIYTYWKNKIJVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7O.C26H28F3N7O.2C25H26F3N7O.C24H24F3N7O/c1-5-35-8-10-36(11-9-35)18-6-7-22(31-14-18)34-26-24(30)27(33-15-32-26)38-21-13-20(28)25-19(23(21)29)12-17(4)37(25)16(2)3;1-15(2)36-16(3)11-18-22(28)20(12-19(27)24(18)36)37-26-23(29)25(31-14-32-26)33-21-6-5-17(13-30-21)35-9-7-34(4)8-10-35;1-14(2)35-15(3)10-17-21(27)19(11-18(26)23(17)35)36-25-22(28)24(31-13-32-25)33-20-5-4-16(12-30-20)34-8-6-29-7-9-34;1-4-35-15(2)11-17-21(27)19(12-18(26)23(17)35)36-25-22(28)24(30-14-31-25)32-20-6-5-16(13-29-20)34-9-7-33(3)8-10-34;1-3-34-14(2)10-16-20(26)18(11-17(25)22(16)34)35-24-21(27)23(30-13-31-24)32-19-5-4-15(12-29-19)33-8-6-28-7-9-33/h6-7,12-16H,5,8-11H2,1-4H3,(H,31,32,33,34);5-6,11-15H,7-10H2,1-4H3,(H,30,31,32,33);4-5,10-14,29H,6-9H2,1-3H3,(H,30,31,32,33);5-6,11-14H,4,7-10H2,1-3H3,(H,29,30,31,32);4-5,10-13,28H,3,6-9H2,1-2H3,(H,29,30,31,32).

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

6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 2515.68 g/mol, XLogP of 25.69, 31 rotatable bonds, 7 hydrogen bond donors, and 40 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-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(4,7-difluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-(1-ethyl-4,7-difluoro-2-methylindol-5-yl)oxy-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 158046447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).