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

C41H33N11O4S2 — CID 145388009

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)-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 (PubChem CID 145388009) has the molecular formula C41H33N11O4S2 and a molecular weight of 807.92 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.

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
• PubChem CID: 145388009
• Molecular Formula: C41H33N11O4S2
• Molecular Weight: 807.92 g/mol
• Exact Mass: 807.22
• 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
• SMILES: COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
• InChI: InChI=1S/C21H17N5O2S.C20H16N6O2S/c1-12-7-9-29-19(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/h3-11H,1-2H3,(H2,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26)
• InChIKey: DFVJRBNYHSXDLC-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 190.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.92
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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?

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 (CID 145388009) 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.

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?

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 is 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?

The InChIKey is DFVJRBNYHSXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S.C20H16N6O2S/c1-12-7-9-29-19(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/h3-11H,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)-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 has a molecular weight of 807.92 g/mol, XLogP of 10.20, 10 rotatable bonds, 4 hydrogen bond donors, and 15 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 is sourced from PubChem (CID 145388009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).