2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one

C91H73Cl2N29O7S4 — CID 157166582

About 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one

2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 157166582) has the molecular formula C91H73Cl2N29O7S4 and a molecular weight of 1883.95 g/mol. Its IUPAC name is 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 157166582
• Molecular Formula: C91H73Cl2N29O7S4
• Molecular Weight: 1883.95 g/mol
• Exact Mass: 1881.45
• IUPAC Name: 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one
• SMILES: COc1ccccc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1cccnc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2scc(C)c2c1=O
• InChI: InChI=1S/C26H21N7O2S.C25H20N8O2S.C20H16ClN7O2S.C20H16ClN7OS/c1-14-6-3-4-9-18(14)33-19(30-25-20(26(33)35)15(2)12-36-25)11-32-24-21(23(27)28-13-29-24)22(31-32)16-7-5-8-17(34)10-16;1-13-5-4-8-27-22(13)33-17(30-24-18(25(33)35)14(2)11-36-24)10-32-23-19(21(26)28-12-29-23)20(31-32)15-6-3-7-16(34)9-15;1-10-8-31-19-14(10)20(29)28(11-5-3-4-6-12(11)30-2)13(25-19)7-27-18-15(16(21)26-27)17(22)23-9-24-18;1-10-5-3-4-6-12(10)28-13(25-19-14(20(28)29)11(2)8-30-19)7-27-18-15(16(21)26-27)17(22)23-9-24-18/h3-10,12-13,34H,11H2,1-2H3,(H2,27,28,29);3-9,11-12,34H,10H2,1-2H3,(H2,26,28,29);3-6,8-9H,7H2,1-2H3,(H2,22,23,24);3-6,8-9H,7H2,1-2H3,(H2,22,23,24)
• InChIKey: AMZFKJQYGIGCPO-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 480.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.95
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one (CID 157166582) is 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one is COc1ccccc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)nc2scc(C)c2c1=O.Cc1cccnc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)nc2scc(C)c2c1=O.

What is the InChIKey of 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one?

The InChIKey is AMZFKJQYGIGCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2S.C25H20N8O2S.C20H16ClN7O2S.C20H16ClN7OS/c1-14-6-3-4-9-18(14)33-19(30-25-20(26(33)35)15(2)12-36-25)11-32-24-21(23(27)28-13-29-24)22(31-32)16-7-5-8-17(34)10-16;1-13-5-4-8-27-22(13)33-17(30-24-18(25(33)35)14(2)11-36-24)10-32-23-19(21(26)28-12-29-23)20(31-32)15-6-3-7-16(34)9-15;1-10-8-31-19-14(10)20(29)28(11-5-3-4-6-12(11)30-2)13(25-19)7-27-18-15(16(21)26-27)17(22)23-9-24-18;1-10-5-3-4-6-12(10)28-13(25-19-14(20(28)29)11(2)8-30-19)7-27-18-15(16(21)26-27)17(22)23-9-24-18/h3-10,12-13,34H,11H2,1-2H3,(H2,27,28,29);3-9,11-12,34H,10H2,1-2H3,(H2,26,28,29);3-6,8-9H,7H2,1-2H3,(H2,22,23,24);3-6,8-9H,7H2,1-2H3,(H2,22,23,24).

What are the key properties of 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one?

2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 1883.95 g/mol, XLogP of 14.48, 15 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 157166582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).