6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C97H80BrFN30O7S3 — CID 160942965

About 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one

6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 160942965) has the molecular formula C97H80BrFN30O7S3 and a molecular weight of 1973.01 g/mol. Its IUPAC name is 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 160942965
• Molecular Formula: C97H80BrFN30O7S3
• Molecular Weight: 1973.01 g/mol
• Exact Mass: 1970.52
• IUPAC Name: 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one
• SMILES: Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(Br)c3c(N)ncnc32)nc2snc(C)c2c1=O.Cc1ccccc1N1C(=O)C2C(C=NN2C)N=C1Cn1nc(-c2cccc(O)c2)c2c(N)ccnc21
• InChI: InChI=1S/C26H20FN7O2S.C26H24N8O2.C26H21N7O2S.C19H15BrN8OS/c1-13-5-3-4-6-19(13)34-20(30-25-21(26(34)36)14(2)32-37-25)12-33-24-22(18(28)7-8-29-24)23(31-33)15-9-16(27)11-17(35)10-15;1-15-6-3-4-9-20(15)34-21(30-19-13-29-32(2)24(19)26(34)36)14-33-25-22(18(27)10-11-28-25)23(31-33)16-7-5-8-17(35)12-16;1-14-6-3-4-9-19(14)33-20(29-25-21(26(33)35)15(2)31-36-25)13-32-24-22(18(27)10-11-28-24)23(30-32)16-7-5-8-17(34)12-16;1-9-5-3-4-6-11(9)28-12(24-18-13(19(28)29)10(2)26-30-18)7-27-17-14(15(20)25-27)16(21)22-8-23-17/h3-11,35H,12H2,1-2H3,(H2,28,29);3-13,19,24,35H,14H2,1-2H3,(H2,27,28);3-12,34H,13H2,1-2H3,(H2,27,28);3-6,8H,7H2,1-2H3,(H2,21,22,23)
• InChIKey: SUTDHUNWQWEQHS-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 492.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1973.01
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 160942965) is 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ccnc32)nc2snc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(Br)c3c(N)ncnc32)nc2snc(C)c2c1=O.Cc1ccccc1N1C(=O)C2C(C=NN2C)N=C1Cn1nc(-c2cccc(O)c2)c2c(N)ccnc21.

What is the InChIKey of 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?

The InChIKey is SUTDHUNWQWEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O2S.C26H24N8O2.C26H21N7O2S.C19H15BrN8OS/c1-13-5-3-4-6-19(13)34-20(30-25-21(26(34)36)14(2)32-37-25)12-33-24-22(18(28)7-8-29-24)23(31-33)15-9-16(27)11-17(35)10-15;1-15-6-3-4-9-20(15)34-21(30-19-13-29-32(2)24(19)26(34)36)14-33-25-22(18(27)10-11-28-25)23(31-33)16-7-5-8-17(35)12-16;1-14-6-3-4-9-19(14)33-20(29-25-21(26(33)35)15(2)31-36-25)13-32-24-22(18(27)10-11-28-24)23(30-32)16-7-5-8-17(34)12-16;1-9-5-3-4-6-11(9)28-12(24-18-13(19(28)29)10(2)26-30-18)7-27-17-14(15(20)25-27)16(21)22-8-23-17/h3-11,35H,12H2,1-2H3,(H2,28,29);3-13,19,24,35H,14H2,1-2H3,(H2,27,28);3-12,34H,13H2,1-2H3,(H2,27,28);3-6,8H,7H2,1-2H3,(H2,21,22,23).

What are the key properties of 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one?

6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1973.01 g/mol, XLogP of 14.35, 15 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;5-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-1-methyl-6-(2-methylphenyl)-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one;6-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160942965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).