N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C94H76N20O5S3 — CID 159719080

About N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159719080) has the molecular formula C94H76N20O5S3 and a molecular weight of 1661.98 g/mol. Its IUPAC name is N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159719080
• Molecular Formula: C94H76N20O5S3
• Molecular Weight: 1661.98 g/mol
• Exact Mass: 1660.55
• IUPAC Name: N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1ccc(-c2cccc(C)c2)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccc(C(C)=O)cc3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12.COc1ccc(-c2ccccc2C)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12
• InChI: InChI=1S/C26H21N5O2.2C23H19N5OS.C22H17N5OS/c1-16(32)17-8-10-19(11-9-17)24-23-25(27-15-28-26(23)31-30-24)29-21-14-20(12-13-22(21)33-2)18-6-4-3-5-7-18;1-14-4-3-5-15(10-14)16-6-7-19(29-2)18(11-16)26-22-20-21(17-8-9-30-12-17)27-28-23(20)25-13-24-22;1-14-5-3-4-6-17(14)15-7-8-19(29-2)18(11-15)26-22-20-21(16-9-10-30-12-16)27-28-23(20)25-13-24-22;1-28-18-8-7-15(14-5-3-2-4-6-14)11-17(18)25-21-19-20(16-9-10-29-12-16)26-27-22(19)24-13-23-21/h3-15H,1-2H3,(H2,27,28,29,30,31);2*3-13H,1-2H3,(H2,24,25,26,27,28);2-13H,1H3,(H2,23,24,25,26,27)
• InChIKey: MZUMZKROIAVJFQ-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 319.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.98
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 159719080) is N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2cccc(C)c2)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccc(C(C)=O)cc3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12.COc1ccc(-c2ccccc2C)cc1Nc1ncnc2n[nH]c(-c3ccsc3)c12.

What is the InChIKey of N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is MZUMZKROIAVJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.2C23H19N5OS.C22H17N5OS/c1-16(32)17-8-10-19(11-9-17)24-23-25(27-15-28-26(23)31-30-24)29-21-14-20(12-13-22(21)33-2)18-6-4-3-5-7-18;1-14-4-3-5-15(10-14)16-6-7-19(29-2)18(11-16)26-22-20-21(17-8-9-30-12-17)27-28-23(20)25-13-24-22;1-14-5-3-4-6-17(14)15-7-8-19(29-2)18(11-15)26-22-20-21(16-9-10-30-12-16)27-28-23(20)25-13-24-22;1-28-18-8-7-15(14-5-3-2-4-6-14)11-17(18)25-21-19-20(16-9-10-29-12-16)26-27-22(19)24-13-23-21/h3-15H,1-2H3,(H2,27,28,29,30,31);2*3-13H,1-2H3,(H2,24,25,26,27,28);2-13H,1H3,(H2,23,24,25,26,27).

What are the key properties of N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1661.98 g/mol, XLogP of 22.76, 21 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-(2-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[2-methoxy-5-(3-methylphenyl)phenyl]-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-[4-(2-methoxy-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;N-(2-methoxy-5-phenylphenyl)-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159719080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).