4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C97H83F2N37O7S2 — CID 157087887

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157087887) has the molecular formula C97H83F2N37O7S2 and a molecular weight of 1981.11 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157087887
• Molecular Formula: C97H83F2N37O7S2
• Molecular Weight: 1981.11 g/mol
• Exact Mass: 1979.67
• IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cc1ccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)o1.Nc1ncnc2c1cnn2-c1cc(F)cc(F)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)NC2CCCC2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2cccs2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccsc2)c1
• InChI: InChI=1S/C19H17N7O2.C18H16N6O2.C17H19N7O.2C16H12N6OS.C11H7F2N5/c1-28-15-7-3-5-13(9-15)25-19(27)24-12-4-2-6-14(8-12)26-18-16(10-23-26)17(20)21-11-22-18;1-11-2-7-14(26-11)8-20-18(25)12-3-5-13(6-4-12)24-17-15(9-23-24)16(19)21-10-22-17;18-15-14-9-21-24(16(14)20-10-19-15)13-7-3-6-12(8-13)23-17(25)22-11-4-1-2-5-11;17-14-12-8-20-22(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(23)13-5-2-6-24-13;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)21-16(23)10-4-5-24-8-10;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);3,6-11H,1-2,4-5H2,(H2,18,19,20)(H2,22,23,25);2*1-9H,(H,21,23)(H2,17,18,19);1-5H,(H2,14,15,16)
• InChIKey: AEHNDXQBDYCYKI-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 609.65 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.11
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157087887) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cc1ccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)o1.Nc1ncnc2c1cnn2-c1cc(F)cc(F)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)NC2CCCC2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2cccs2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)c2ccsc2)c1.

What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AEHNDXQBDYCYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2.C18H16N6O2.C17H19N7O.2C16H12N6OS.C11H7F2N5/c1-28-15-7-3-5-13(9-15)25-19(27)24-12-4-2-6-14(8-12)26-18-16(10-23-26)17(20)21-11-22-18;1-11-2-7-14(26-11)8-20-18(25)12-3-5-13(6-4-12)24-17-15(9-23-24)16(19)21-10-22-17;18-15-14-9-21-24(16(14)20-10-19-15)13-7-3-6-12(8-13)23-17(25)22-11-4-1-2-5-11;17-14-12-8-20-22(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(23)13-5-2-6-24-13;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-2-11(6-12)21-16(23)10-4-5-24-8-10;12-6-1-7(13)3-8(2-6)18-11-9(4-17-18)10(14)15-5-16-11/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);3,6-11H,1-2,4-5H2,(H2,18,19,20)(H2,22,23,25);2*1-9H,(H,21,23)(H2,17,18,19);1-5H,(H2,14,15,16).

What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1981.11 g/mol, XLogP of 14.84, 18 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157087887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).