5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine

C121H115Br3ClF10N31O5 — CID 157188873

About 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine

5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine (PubChem CID 157188873) has the molecular formula C121H115Br3ClF10N31O5 and a molecular weight of 2548.61 g/mol. Its IUPAC name is 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine
• PubChem CID: 157188873
• Molecular Formula: C121H115Br3ClF10N31O5
• Molecular Weight: 2548.61 g/mol
• Exact Mass: 2543.68
• IUPAC Name: 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine
• SMILES: CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Br)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Br)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Cl)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3Br)nc2)CC1.[C-]#[N+]c1c(Nc2ccc(N3CCN(CC)CC3)cn2)ncnc1Oc1cc(F)c2c(c1F)C=C(C)C2
• InChI: InChI=1S/C26H25F2N7O.C25H25BrF2N6O.C24H23BrF2N6O.C23H21BrF2N6O.C23H21ClF2N6O/c1-4-34-7-9-35(10-8-34)17-5-6-22(30-14-17)33-25-24(29-3)26(32-15-31-25)36-21-13-20(27)18-11-16(2)12-19(18)23(21)28;1-3-33-6-8-34(9-7-33)16-4-5-21(29-13-16)32-24-22(26)25(31-14-30-24)35-20-12-19(27)17-10-15(2)11-18(17)23(20)28;1-14-9-16-17(10-14)22(27)19(11-18(16)26)34-24-21(25)23(29-13-30-24)31-20-4-3-15(12-28-20)33-7-5-32(2)6-8-33;2*1-13-8-15-16(9-13)21(26)18(10-17(15)25)33-23-20(24)22(29-12-30-23)31-19-3-2-14(11-28-19)32-6-4-27-5-7-32/h5-6,12-15H,4,7-11H2,1-2H3,(H,30,31,32,33);4-5,11-14H,3,6-10H2,1-2H3,(H,29,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,28,29,30,31);2*2-3,9-12,27H,4-8H2,1H3,(H,28,29,30,31)
• InChIKey: APLMIYNNRGUTOH-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 353.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.61
LogP ≤ 5	25.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine?

The IUPAC name of 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine (CID 157188873) is 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine.

What is the SMILES notation for 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine?

The canonical SMILES for 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine is CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Br)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Br)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3Cl)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3Br)nc2)CC1.[C-]#[N+]c1c(Nc2ccc(N3CCN(CC)CC3)cn2)ncnc1Oc1cc(F)c2c(c1F)C=C(C)C2.

What is the InChIKey of 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine?

The InChIKey is APLMIYNNRGUTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O.C25H25BrF2N6O.C24H23BrF2N6O.C23H21BrF2N6O.C23H21ClF2N6O/c1-4-34-7-9-35(10-8-34)17-5-6-22(30-14-17)33-25-24(29-3)26(32-15-31-25)36-21-13-20(27)18-11-16(2)12-19(18)23(21)28;1-3-33-6-8-34(9-7-33)16-4-5-21(29-13-16)32-24-22(26)25(31-14-30-24)35-20-12-19(27)17-10-15(2)11-18(17)23(20)28;1-14-9-16-17(10-14)22(27)19(11-18(16)26)34-24-21(25)23(29-13-30-24)31-20-4-3-15(12-28-20)33-7-5-32(2)6-8-33;2*1-13-8-15-16(9-13)21(26)18(10-17(15)25)33-23-20(24)22(29-12-30-23)31-19-3-2-14(11-28-19)32-6-4-27-5-7-32/h5-6,12-15H,4,7-11H2,1-2H3,(H,30,31,32,33);4-5,11-14H,3,6-10H2,1-2H3,(H,29,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,28,29,30,31);2*2-3,9-12,27H,4-8H2,1H3,(H,28,29,30,31).

What are the key properties of 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine?

5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine has a molecular weight of 2548.61 g/mol, XLogP of 25.57, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-isocyanopyrimidin-4-amine is sourced from PubChem (CID 157188873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).