6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol

C127H118F21N25O6 — CID 159665659

About 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 159665659) has the molecular formula C127H118F21N25O6 and a molecular weight of 2489.47 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

• Compound Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol
• PubChem CID: 159665659
• Molecular Formula: C127H118F21N25O6
• Molecular Weight: 2489.47 g/mol
• Exact Mass: 2487.94
• IUPAC Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol
• SMILES: CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4CO)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)c(F)c4)c3F)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2F)CC1
• InChI: InChI=1S/C26H23F6N5O.C26H25F4N5O.C26H26F3N5O2.C25H23F4N5O.C24H21F4N5O/c1-14-9-16-17(10-14)22(28)21(12-19(16)27)38-25-23(29)24(33-13-34-25)35-15-3-4-20(18(11-15)26(30,31)32)37-7-5-36(2)6-8-37;1-3-34-6-8-35(9-7-34)21-5-4-16(12-20(21)28)33-25-24(30)26(32-14-31-25)36-22-13-19(27)17-10-15(2)11-18(17)23(22)29;1-15-9-18-19(10-15)23(28)22(12-20(18)27)36-26-24(29)25(30-14-31-26)32-21-4-3-17(11-16(21)13-35)34-7-5-33(2)6-8-34;1-14-9-16-17(10-14)22(28)21(12-18(16)26)35-25-23(29)24(30-13-31-25)32-15-3-4-20(19(27)11-15)34-7-5-33(2)6-8-34;1-13-8-15-16(9-13)21(27)20(11-17(15)25)34-24-22(28)23(30-12-31-24)32-14-2-3-19(18(26)10-14)33-6-4-29-5-7-33/h3-4,10-13H,5-9H2,1-2H3,(H,33,34,35);4-5,11-14H,3,6-10H2,1-2H3,(H,31,32,33);3-4,10-12,14,35H,5-9,13H2,1-2H3,(H,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,30,31,32);2-3,9-12,29H,4-8H2,1H3,(H,30,31,32)
• InChIKey: MTJDPHGBMRXDGG-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 296.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2489.47
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol?

The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol (CID 159665659) is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol.

What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol?

The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol is CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cc4CO)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)c(F)c4)c3F)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2F)CC1.

What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol?

The InChIKey is MTJDPHGBMRXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6N5O.C26H25F4N5O.C26H26F3N5O2.C25H23F4N5O.C24H21F4N5O/c1-14-9-16-17(10-14)22(28)21(12-19(16)27)38-25-23(29)24(33-13-34-25)35-15-3-4-20(18(11-15)26(30,31)32)37-7-5-36(2)6-8-37;1-3-34-6-8-35(9-7-34)21-5-4-16(12-20(21)28)33-25-24(30)26(32-14-31-25)36-22-13-19(27)17-10-15(2)11-18(17)23(22)29;1-15-9-18-19(10-15)23(28)22(12-20(18)27)36-26-24(29)25(30-14-31-26)32-21-4-3-17(11-16(21)13-35)34-7-5-33(2)6-8-34;1-14-9-16-17(10-14)22(28)21(12-18(16)26)35-25-23(29)24(30-13-31-25)32-15-3-4-20(19(27)11-15)34-7-5-33(2)6-8-34;1-13-8-15-16(9-13)21(27)20(11-17(15)25)34-24-22(28)23(30-12-31-24)32-14-2-3-19(18(26)10-14)33-6-4-29-5-7-33/h3-4,10-13H,5-9H2,1-2H3,(H,33,34,35);4-5,11-14H,3,6-10H2,1-2H3,(H,31,32,33);3-4,10-12,14,35H,5-9,13H2,1-2H3,(H,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,30,31,32);2-3,9-12,29H,4-8H2,1H3,(H,30,31,32).

What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol?

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 2489.47 g/mol, XLogP of 26.68, 27 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 159665659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).