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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C105H105N35O9S2 — CID 158142421

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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158142421) has the molecular formula C105H105N35O9S2 and a molecular weight of 2065.36 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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158142421
• Molecular Formula: C105H105N35O9S2
• Molecular Weight: 2065.36 g/mol
• Exact Mass: 2063.83
• 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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCC(C)CC(=O)Cc1cccc(-n2ncc3c(N)ncnc32)c1.CCCCS(=O)(=O)Cc1cccc(-n2ncc3c(N)ncnc32)c1.COc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cc1ccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)o1.Nc1ncnc2c1cnn2-c1cccc(CC(=O)c2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)NC2CCCC2)c1
• InChI: InChI=1S/C19H17N7O2.C18H16N6O2.C18H21N5O.C17H19N7O.C17H13N5OS.C16H19N5O2S/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;1-3-12(2)7-15(24)9-13-5-4-6-14(8-13)23-18-16(10-22-23)17(19)20-11-21-18;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;18-16-14-8-21-22(17(14)20-10-19-16)13-3-1-2-11(6-13)7-15(23)12-4-5-24-9-12;1-2-3-7-24(22,23)10-12-5-4-6-13(8-12)21-16-14(9-20-21)15(17)18-11-19-16/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,20,21);3,6-11H,1-2,4-5H2,(H2,18,19,20)(H2,22,23,25);1-6,8-10H,7H2,(H2,18,19,20);4-6,8-9,11H,2-3,7,10H2,1H3,(H2,17,18,19)
• InChIKey: FUCJPSLCVGFGJS-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 619.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2065.36
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 158142421) 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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)CC(=O)Cc1cccc(-n2ncc3c(N)ncnc32)c1.CCCCS(=O)(=O)Cc1cccc(-n2ncc3c(N)ncnc32)c1.COc1cccc(NC(=O)Nc2cccc(-n3ncc4c(N)ncnc43)c2)c1.Cc1ccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)o1.Nc1ncnc2c1cnn2-c1cccc(CC(=O)c2ccsc2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)NC2CCCC2)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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FUCJPSLCVGFGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2.C18H16N6O2.C18H21N5O.C17H19N7O.C17H13N5OS.C16H19N5O2S/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;1-3-12(2)7-15(24)9-13-5-4-6-14(8-13)23-18-16(10-22-23)17(19)20-11-21-18;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;18-16-14-8-21-22(17(14)20-10-19-16)13-3-1-2-11(6-13)7-15(23)12-4-5-24-9-12;1-2-3-7-24(22,23)10-12-5-4-6-13(8-12)21-16-14(9-20-21)15(17)18-11-19-16/h2-11H,1H3,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,20,21);3,6-11H,1-2,4-5H2,(H2,18,19,20)(H2,22,23,25);1-6,8-10H,7H2,(H2,18,19,20);4-6,8-9,11H,2-3,7,10H2,1H3,(H2,17,18,19).

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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2065.36 g/mol, XLogP of 15.68, 27 rotatable bonds, 11 hydrogen bond donors, and 40 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;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158142421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).