1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

C86H93N23O10S5 — CID 159726888

About 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 159726888) has the molecular formula C86H93N23O10S5 and a molecular weight of 1769.18 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
• PubChem CID: 159726888
• Molecular Formula: C86H93N23O10S5
• Molecular Weight: 1769.18 g/mol
• Exact Mass: 1767.61
• IUPAC Name: 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
• SMILES: COc1cc(OCC(=O)N2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCN4CCN(C)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12
• InChI: InChI=1S/C24H29N7OS.C23H24N6O3S.C20H21N5O4S2.C19H19N5O2S/c1-17-22(19-6-4-5-7-20(19)32-3)23-21(33-17)15-25-24(28-23)27-18-14-26-31(16-18)13-12-30-10-8-29(2)9-11-30;1-14-21(22-19(33-14)11-24-23(27-22)26-15-10-25-28(2)12-15)17-6-5-16(9-18(17)31-3)32-13-20(30)29-7-4-8-29;1-12-18(15-5-4-14(31(3,27)28)8-16(15)29-2)19-17(30-12)10-21-20(24-19)23-13-9-22-25(11-13)6-7-26;1-12-17(14-5-3-4-6-15(14)26-2)18-16(27-12)10-20-19(23-18)22-13-9-21-24(11-13)7-8-25/h4-7,14-16H,8-13H2,1-3H3,(H,25,27,28);5-6,9-12H,4,7-8,13H2,1-3H3,(H,24,26,27);4-5,8-11,26H,6-7H2,1-3H3,(H,21,23,24);3-6,9-11,25H,7-8H2,1-2H3,(H,20,22,23)
• InChIKey: NATCQMUMTMTPIN-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 370.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.18
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The IUPAC name of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (CID 159726888) is 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

What is the SMILES notation for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The canonical SMILES for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is COc1cc(OCC(=O)N2CCC2)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCN4CCN(C)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.

What is the InChIKey of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

The InChIKey is NATCQMUMTMTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS.C23H24N6O3S.C20H21N5O4S2.C19H19N5O2S/c1-17-22(19-6-4-5-7-20(19)32-3)23-21(33-17)15-25-24(28-23)27-18-14-26-31(16-18)13-12-30-10-8-29(2)9-11-30;1-14-21(22-19(33-14)11-24-23(27-22)26-15-10-25-28(2)12-15)17-6-5-16(9-18(17)31-3)32-13-20(30)29-7-4-8-29;1-12-18(15-5-4-14(31(3,27)28)8-16(15)29-2)19-17(30-12)10-21-20(24-19)23-13-9-22-25(11-13)6-7-26;1-12-17(14-5-3-4-6-15(14)26-2)18-16(27-12)10-20-19(23-18)22-13-9-21-24(11-13)7-8-25/h4-7,14-16H,8-13H2,1-3H3,(H,25,27,28);5-6,9-12H,4,7-8,13H2,1-3H3,(H,24,26,27);4-5,8-11,26H,6-7H2,1-3H3,(H,21,23,24);3-6,9-11,25H,7-8H2,1-2H3,(H,20,22,23).

What are the key properties of 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?

1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 1769.18 g/mol, XLogP of 14.25, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-yl)-2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]ethanone;2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 159726888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).