3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C63H51N17O6S2 — CID 145388012

About 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 145388012) has the molecular formula C63H51N17O6S2 and a molecular weight of 1206.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
• PubChem CID: 145388012
• Molecular Formula: C63H51N17O6S2
• Molecular Weight: 1206.35 g/mol
• Exact Mass: 1205.36
• IUPAC Name: 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
• SMILES: COc1ccc(-c2ccccc2)cc1Nc1nc(N)nc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
• InChI: InChI=1S/C22H18N6O2.C21H17N5O2S.C20H16N6O2S/c1-29-16-10-9-14(13-6-3-2-4-7-13)12-15(16)24-20-18-19(17-8-5-11-30-17)27-28-21(18)26-22(23)25-20;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-11-23-14(9-29-11)12-5-6-15(27-2)13(8-12)24-19-17-18(16-4-3-7-28-16)25-26-20(17)22-10-21-19/h2-12H,1H3,(H4,23,24,25,26,27,28);3-11H,1-2H3,(H2,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26)
• InChIKey: VTIQTTCIBCOZMK-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 305.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1206.35
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?

The IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 145388012) is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

What is the SMILES notation for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?

The canonical SMILES for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1ccc(-c2ccccc2)cc1Nc1nc(N)nc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.

What is the InChIKey of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?

The InChIKey is VTIQTTCIBCOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C21H17N5O2S.C20H16N6O2S/c1-29-16-10-9-14(13-6-3-2-4-7-13)12-15(16)24-20-18-19(17-8-5-11-30-17)27-28-21(18)26-22(23)25-20;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-11-23-14(9-29-11)12-5-6-15(27-2)13(8-12)24-19-17-18(16-4-3-7-28-16)25-26-20(17)22-10-21-19/h2-12H,1H3,(H4,23,24,25,26,27,28);3-11H,1-2H3,(H2,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26).

What are the key properties of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?

3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 1206.35 g/mol, XLogP of 14.81, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-4-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 145388012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).