7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

C94H108FN23O8S5 — CID 158750949

About 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 158750949) has the molecular formula C94H108FN23O8S5 and a molecular weight of 1867.38 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
• PubChem CID: 158750949
• Molecular Formula: C94H108FN23O8S5
• Molecular Weight: 1867.38 g/mol
• Exact Mass: 1865.73
• IUPAC Name: 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
• SMILES: COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12.COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12
• InChI: InChI=1S/C24H27FN6OS.C24H28N6OS.C23H26N6OS.C23H27N5O5S2/c1-16-22(19-7-6-17(25)12-20(19)32-2)23-21(33-16)14-26-24(29-23)28-18-13-27-31(15-18)11-5-10-30-8-3-4-9-30;1-17-22(19-8-3-4-9-20(19)31-2)23-21(32-17)15-25-24(28-23)27-18-14-26-30(16-18)13-7-12-29-10-5-6-11-29;1-15-21(18-6-4-5-7-19(18)30-3)22-20(31-15)13-24-23(27-22)26-16-12-25-29(14-16)17-8-10-28(2)11-9-17;1-15-21(18-6-5-17(11-19(18)32-2)33-9-4-10-35(3,30)31)22-20(34-15)13-24-23(27-22)26-16-12-25-28(14-16)7-8-29/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,26,28,29);3-4,8-9,14-16H,5-7,10-13H2,1-2H3,(H,25,27,28);4-7,12-14,17H,8-11H2,1-3H3,(H,24,26,27);5-6,11-14,29H,4,7-10H2,1-3H3,(H,24,26,27)
• InChIKey: INLYEUVNLPRTPH-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 332.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.38
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?

The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 158750949) is 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12.COc1cc(OCCCS(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(C)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12.

What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?

The InChIKey is INLYEUVNLPRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS.C24H28N6OS.C23H26N6OS.C23H27N5O5S2/c1-16-22(19-7-6-17(25)12-20(19)32-2)23-21(33-16)14-26-24(29-23)28-18-13-27-31(15-18)11-5-10-30-8-3-4-9-30;1-17-22(19-8-3-4-9-20(19)31-2)23-21(32-17)15-25-24(28-23)27-18-14-26-30(16-18)13-7-12-29-10-5-6-11-29;1-15-21(18-6-4-5-7-19(18)30-3)22-20(31-15)13-24-23(27-22)26-16-12-25-29(14-16)17-8-10-28(2)11-9-17;1-15-21(18-6-5-17(11-19(18)32-2)33-9-4-10-35(3,30)31)22-20(34-15)13-24-23(27-22)26-16-12-25-28(14-16)7-8-29/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,26,28,29);3-4,8-9,14-16H,5-7,10-13H2,1-2H3,(H,25,27,28);4-7,12-14,17H,8-11H2,1-3H3,(H,24,26,27);5-6,11-14,29H,4,7-10H2,1-3H3,(H,24,26,27).

What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?

7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 1867.38 g/mol, XLogP of 18.65, 32 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;2-[4-[[7-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol;7-(2-methoxyphenyl)-6-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine;7-(2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158750949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).