N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine

C131H138F10N30O7S — CID 157329950

About N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine

N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 157329950) has the molecular formula C131H138F10N30O7S and a molecular weight of 2466.79 g/mol. Its IUPAC name is N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
• PubChem CID: 157329950
• Molecular Formula: C131H138F10N30O7S
• Molecular Weight: 2466.79 g/mol
• Exact Mass: 2465.09
• IUPAC Name: N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
• SMILES: CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CCC5)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(CO)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(c5cccs5)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(cc(F)c(Oc3cc(N4CCN(C)CC4)nc(NC4=NCC(c5ccco5)=C4)n3)c2F)C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1
• InChI: InChI=1S/C27H26F2N6O2.C27H26F2N6OS.C27H30F2N6O.C26H30F2N6O.C24H26F2N6O2/c1-16-10-17-12-20(28)26(25(29)19(17)11-16)37-24-14-23(35-7-5-34(2)6-8-35)32-27(33-24)31-22-13-18(15-30-22)21-4-3-9-36-21;1-16-10-18-19(11-16)26(29)21(13-20(18)28)36-27-32-24(14-25(33-27)35-7-5-34(2)6-8-35)31-23-12-17(15-30-23)22-4-3-9-37-22;1-16-10-19-20(11-16)26(29)22(13-21(19)28)36-27-32-24(14-25(33-27)35-8-6-34(2)7-9-35)31-23-12-18(15-30-23)17-4-3-5-17;1-4-5-17-12-22(29-15-17)30-23-14-24(34-8-6-33(3)7-9-34)32-26(31-23)35-21-13-20(27)18-10-16(2)11-19(18)25(21)28;1-14-7-16-17(8-14)23(26)19(10-18(16)25)34-24-29-21(28-20-9-15(13-33)12-27-20)11-22(30-24)32-5-3-31(2)4-6-32/h2*3-4,9,11-14H,5-8,10,15H2,1-2H3,(H,30,31,32,33);11-14,17H,3-10,15H2,1-2H3,(H,30,31,32,33);11-14H,4-10,15H2,1-3H3,(H,29,30,31,32);8-11,33H,3-7,12-13H2,1-2H3,(H,27,28,29,30)
• InChIKey: BFEBFQPKXKUAER-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 362.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.79
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The IUPAC name of N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 157329950) is N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine.

What is the SMILES notation for N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The canonical SMILES for N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine is CC1=Cc2c(F)c(Oc3nc(NC4=NCC(C5CCC5)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(CO)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(F)c(Oc3nc(NC4=NCC(c5cccs5)=C4)cc(N4CCN(C)CC4)n3)cc(F)c2C1.CC1=Cc2c(cc(F)c(Oc3cc(N4CCN(C)CC4)nc(NC4=NCC(c5ccco5)=C4)n3)c2F)C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.

What is the InChIKey of N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?

The InChIKey is BFEBFQPKXKUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O2.C27H26F2N6OS.C27H30F2N6O.C26H30F2N6O.C24H26F2N6O2/c1-16-10-17-12-20(28)26(25(29)19(17)11-16)37-24-14-23(35-7-5-34(2)6-8-35)32-27(33-24)31-22-13-18(15-30-22)21-4-3-9-36-21;1-16-10-18-19(11-16)26(29)21(13-20(18)28)36-27-32-24(14-25(33-27)35-7-5-34(2)6-8-35)31-23-12-17(15-30-23)22-4-3-9-37-22;1-16-10-19-20(11-16)26(29)22(13-21(19)28)36-27-32-24(14-25(33-27)35-8-6-34(2)7-9-35)31-23-12-18(15-30-23)17-4-3-5-17;1-4-5-17-12-22(29-15-17)30-23-14-24(34-8-6-33(3)7-9-34)32-26(31-23)35-21-13-20(27)18-10-16(2)11-19(18)25(21)28;1-14-7-16-17(8-14)23(26)19(10-18(16)25)34-24-29-21(28-20-9-15(13-33)12-27-20)11-22(30-24)32-5-3-31(2)4-6-32/h2*3-4,9,11-14H,5-8,10,15H2,1-2H3,(H,30,31,32,33);11-14,17H,3-10,15H2,1-2H3,(H,30,31,32,33);11-14H,4-10,15H2,1-3H3,(H,29,30,31,32);8-11,33H,3-7,12-13H2,1-2H3,(H,27,28,29,30).

What are the key properties of N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?

N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 2466.79 g/mol, XLogP of 22.60, 26 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;4-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;[5-[[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-2H-pyrrol-3-yl]methanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 157329950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).