6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine

C132H134Cl3F8N31O5 — CID 159735282

About 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine

6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 159735282) has the molecular formula C132H134Cl3F8N31O5 and a molecular weight of 2493.08 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
• PubChem CID: 159735282
• Molecular Formula: C132H134Cl3F8N31O5
• Molecular Weight: 2493.08 g/mol
• Exact Mass: 2490.01
• IUPAC Name: 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
• SMILES: CC1=CC(Nc2cc(N3CCC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CC(F)(F)F)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccncc5)CC4)n3)c2Cl)C1
• InChI: InChI=1S/C30H30ClN7O.C28H28ClN7O.C27H28F4N6O.C25H26ClF3N6O.C22H22FN5O/c1-19-14-21-4-5-25(29(31)24(21)15-19)39-30-35-27(34-26-16-22(18-33-26)20-2-3-20)17-28(36-30)38-12-10-37(11-13-38)23-6-8-32-9-7-23;1-18-13-20-3-4-23(27(29)22(20)14-18)37-28-33-25(32-24-15-19(2)17-31-24)16-26(34-28)36-11-9-35(10-12-36)21-5-7-30-8-6-21;1-16-10-18-4-5-21(25(28)20(18)11-16)38-26-34-23(33-22-12-19(14-32-22)17-2-3-17)13-24(35-26)37-8-6-36(7-9-37)15-27(29,30)31;1-15-9-17-3-4-19(23(26)18(17)10-15)36-24-32-21(31-20-11-16(2)13-30-20)12-22(33-24)35-7-5-34(6-8-35)14-25(27,28)29;1-13-8-15-4-5-17(21(23)16(15)9-13)29-22-26-19(25-18-10-14(2)12-24-18)11-20(27-22)28-6-3-7-28/h4-9,15-17,20H,2-3,10-14,18H2,1H3,(H,33,34,35,36);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4-5,11-13,17H,2-3,6-10,14-15H2,1H3,(H,32,33,34,35);3-4,10-12H,5-9,13-14H2,1-2H3,(H,30,31,32,33);4-5,9-11H,3,6-8,12H2,1-2H3,(H,24,25,26,27)
• InChIKey: NBTLFVGBCRGDQO-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 351.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2493.08
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?

The IUPAC name of 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine (CID 159735282) is 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine.

What is the SMILES notation for 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?

The canonical SMILES for 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is CC1=CC(Nc2cc(N3CCC3)nc(Oc3ccc4c(c3F)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(CC(F)(F)F)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=CC(Nc2cc(N3CCN(c4ccncc4)CC3)nc(Oc3ccc4c(c3Cl)C=C(C)C4)n2)=NC1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(CC(F)(F)F)CC4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3nc(NC4=NCC(C5CC5)=C4)cc(N4CCN(c5ccncc5)CC4)n3)c2Cl)C1.

What is the InChIKey of 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?

The InChIKey is NBTLFVGBCRGDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O.C28H28ClN7O.C27H28F4N6O.C25H26ClF3N6O.C22H22FN5O/c1-19-14-21-4-5-25(29(31)24(21)15-19)39-30-35-27(34-26-16-22(18-33-26)20-2-3-20)17-28(36-30)38-12-10-37(11-13-38)23-6-8-32-9-7-23;1-18-13-20-3-4-23(27(29)22(20)14-18)37-28-33-25(32-24-15-19(2)17-31-24)16-26(34-28)36-11-9-35(10-12-36)21-5-7-30-8-6-21;1-16-10-18-4-5-21(25(28)20(18)11-16)38-26-34-23(33-22-12-19(14-32-22)17-2-3-17)13-24(35-26)37-8-6-36(7-9-37)15-27(29,30)31;1-15-9-17-3-4-19(23(26)18(17)10-15)36-24-32-21(31-20-11-16(2)13-30-20)12-22(33-24)35-7-5-34(6-8-35)14-25(27,28)29;1-13-8-15-4-5-17(21(23)16(15)9-13)29-22-26-19(25-18-10-14(2)12-24-18)11-20(27-22)28-6-3-7-28/h4-9,15-17,20H,2-3,10-14,18H2,1H3,(H,33,34,35,36);3-8,14-16H,9-13,17H2,1-2H3,(H,31,32,33,34);4-5,11-13,17H,2-3,6-10,14-15H2,1H3,(H,32,33,34,35);3-4,10-12H,5-9,13-14H2,1-2H3,(H,30,31,32,33);4-5,9-11H,3,6-8,12H2,1-2H3,(H,24,25,26,27).

What are the key properties of 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine?

6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 2493.08 g/mol, XLogP of 26.03, 26 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-1-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159735282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).