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

C121H117Cl2F13N30O5 — CID 157116247

About 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-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-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 157116247) has the molecular formula C121H117Cl2F13N30O5 and a molecular weight of 2389.35 g/mol. Its IUPAC name is 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
• PubChem CID: 157116247
• Molecular Formula: C121H117Cl2F13N30O5
• Molecular Weight: 2389.35 g/mol
• Exact Mass: 2386.90
• IUPAC Name: 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
• SMILES: CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3Cl)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)nc2)CC1
• InChI: InChI=1S/C25H25ClF2N6O.C25H25F3N6O.C24H23ClF2N6O.C24H23F3N6O.C23H21F3N6O/c1-3-33-6-8-34(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;1-3-33-6-8-34(9-7-33)16-4-5-21(29-13-16)32-24-23(28)25(31-14-30-24)35-20-12-19(26)17-10-15(2)11-18(17)22(20)27;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;1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-20-4-3-15(12-28-20)33-7-5-32(2)6-8-33;1-13-8-15-16(9-13)20(25)18(10-17(15)24)33-23-21(26)22(29-12-30-23)31-19-3-2-14(11-28-19)32-6-4-27-5-7-32/h2*4-5,11-14H,3,6-10H2,1-2H3,(H,29,30,31,32);2*3-4,10-13H,5-9H2,1-2H3,(H,28,29,30,31);2-3,9-12,27H,4-8H2,1H3,(H,28,29,30,31)
• InChIKey: AHLAOTVLSHJGGN-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 340.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.35
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine (CID 157116247) is 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

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

The canonical SMILES for 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3Cl)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)cc(F)c2C1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3Cl)nc2)CC1.CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)nc2)CC1.

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

The InChIKey is AHLAOTVLSHJGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF2N6O.C25H25F3N6O.C24H23ClF2N6O.C24H23F3N6O.C23H21F3N6O/c1-3-33-6-8-34(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;1-3-33-6-8-34(9-7-33)16-4-5-21(29-13-16)32-24-23(28)25(31-14-30-24)35-20-12-19(26)17-10-15(2)11-18(17)22(20)27;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;1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-20-4-3-15(12-28-20)33-7-5-32(2)6-8-33;1-13-8-15-16(9-13)20(25)18(10-17(15)24)33-23-21(26)22(29-12-30-23)31-19-3-2-14(11-28-19)32-6-4-27-5-7-32/h2*4-5,11-14H,3,6-10H2,1-2H3,(H,29,30,31,32);2*3-4,10-13H,5-9H2,1-2H3,(H,28,29,30,31);2-3,9-12,27H,4-8H2,1H3,(H,28,29,30,31).

What are the key properties of 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-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-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 2389.35 g/mol, XLogP of 24.15, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-methylpiperazin-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-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 157116247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).