2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine

C120H131Cl2F3N32O5S3 — CID 157172958

About 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine

2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 157172958) has the molecular formula C120H131Cl2F3N32O5S3 and a molecular weight of 2325.69 g/mol. Its IUPAC name is 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• PubChem CID: 157172958
• Molecular Formula: C120H131Cl2F3N32O5S3
• Molecular Weight: 2325.69 g/mol
• Exact Mass: 2322.95
• IUPAC Name: 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
• SMILES: CC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3cc(F)c4c(c3)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)c2Cl)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(C)=N4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2cc(Oc3nc(Nc4ncc(C5CCC5)s4)cc(N4CCN(C)CC4)n3)c(F)cc2C1.CCc1cnc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)s1
• InChI: InChI=1S/C26H29FN6OS.C24H27ClN6OS.C24H27FN6O.C23H22ClN7OS.C23H26FN7O/c1-16-10-18-12-20(27)21(13-19(18)11-16)34-25-29-23(14-24(31-25)33-8-6-32(2)7-9-33)30-26-28-15-22(35-26)17-4-3-5-17;1-4-17-14-26-24(33-17)28-20-13-21(31-9-7-30(3)8-10-31)29-23(27-20)32-19-6-5-16-11-15(2)12-18(16)22(19)25;1-15-8-17-11-18(12-20(25)19(17)9-15)32-24-28-22(27-21-10-16(2)14-26-21)13-23(29-24)31-6-4-30(3)5-7-31;1-14-9-15-3-4-18(21(24)17(15)10-14)32-22-27-19(28-23-26-13-16(12-25)33-23)11-20(29-22)31-7-5-30(2)6-8-31;1-14-8-16-10-17(11-19(24)18(16)9-14)32-23-28-20(27-22-25-13-15(2)26-22)12-21(29-23)31-6-4-30(3)5-7-31/h11-15,17H,3-10H2,1-2H3,(H,28,29,30,31);5-6,12-14H,4,7-11H2,1-3H3,(H,26,27,28,29);8,10-13H,4-7,9,14H2,1-3H3,(H,26,27,28,29);3-4,10-11,13H,5-9H2,1-2H3,(H,26,27,28,29);8,10-12H,4-7,9,13H2,1-3H3,(H,25,27,28,29)
• InChIKey: ANRKCZIANFGGNW-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 367.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.69
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The IUPAC name of 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 157172958) is 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The canonical SMILES for 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine is CC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3cc(F)c4c(c3)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(Nc4ncc(C#N)s4)cc(N4CCN(C)CC4)n3)c2Cl)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(C)=N4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2cc(Oc3nc(Nc4ncc(C5CCC5)s4)cc(N4CCN(C)CC4)n3)c(F)cc2C1.CCc1cnc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)s1.

What is the InChIKey of 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The InChIKey is ANRKCZIANFGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6OS.C24H27ClN6OS.C24H27FN6O.C23H22ClN7OS.C23H26FN7O/c1-16-10-18-12-20(27)21(13-19(18)11-16)34-25-29-23(14-24(31-25)33-8-6-32(2)7-9-33)30-26-28-15-22(35-26)17-4-3-5-17;1-4-17-14-26-24(33-17)28-20-13-21(31-9-7-30(3)8-10-31)29-23(27-20)32-19-6-5-16-11-15(2)12-18(16)22(19)25;1-15-8-17-11-18(12-20(25)19(17)9-15)32-24-28-22(27-21-10-16(2)14-26-21)13-23(29-24)31-6-4-30(3)5-7-31;1-14-9-15-3-4-18(21(24)17(15)10-14)32-22-27-19(28-23-26-13-16(12-25)33-23)11-20(29-22)31-7-5-30(2)6-8-31;1-14-8-16-10-17(11-19(24)18(16)9-14)32-23-28-20(27-22-25-13-15(2)26-22)12-21(29-23)31-6-4-30(3)5-7-31/h11-15,17H,3-10H2,1-2H3,(H,28,29,30,31);5-6,12-14H,4,7-11H2,1-3H3,(H,26,27,28,29);8,10-13H,4-7,9,14H2,1-3H3,(H,26,27,28,29);3-4,10-11,13H,5-9H2,1-2H3,(H,26,27,28,29);8,10-12H,4-7,9,13H2,1-3H3,(H,25,27,28,29).

What are the key properties of 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine?

2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 2325.69 g/mol, XLogP of 22.94, 25 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-ethyl-1,3-thiazol-2-amine;5-cyclobutyl-N-[2-[(6-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(5-methyl-4H-imidazol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(7-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 157172958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).