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

C44H32N10O3S — CID 137245155

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

N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 137245155) has the molecular formula C44H32N10O3S and a molecular weight of 780.87 g/mol. Its IUPAC name is N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 137245155
• Molecular Formula: C44H32N10O3S
• Molecular Weight: 780.87 g/mol
• Exact Mass: 780.24
• IUPAC Name: N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]nc(-c3occc3-c3cc(-c4ccccc4)cc(Nc4ncnc5[nH]nc(-c6cccs6)c45)c3OC)c12
• InChI: InChI=1S/C44H32N10O3S/c1-55-33-16-15-27(25-10-5-3-6-11-25)21-31(33)49-42-36-38(52-54-44(36)48-24-46-42)40-29(17-18-57-40)30-20-28(26-12-7-4-8-13-26)22-32(39(30)56-2)50-41-35-37(34-14-9-19-58-34)51-53-43(35)47-23-45-41/h3-24H,1-2H3,(H2,45,47,50,51,53)(H2,46,48,49,52,54)
• InChIKey: SGOPFIDWTNGKPT-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 164.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	780.87
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 137245155) is N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

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

The canonical SMILES for N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]nc(-c3occc3-c3cc(-c4ccccc4)cc(Nc4ncnc5[nH]nc(-c6cccs6)c45)c3OC)c12.

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

The InChIKey is SGOPFIDWTNGKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N10O3S/c1-55-33-16-15-27(25-10-5-3-6-11-25)21-31(33)49-42-36-38(52-54-44(36)48-24-46-42)40-29(17-18-57-40)30-20-28(26-12-7-4-8-13-26)22-32(39(30)56-2)50-41-35-37(34-14-9-19-58-34)51-53-43(35)47-23-45-41/h3-24H,1-2H3,(H2,45,47,50,51,53)(H2,46,48,49,52,54).

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

N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 780.87 g/mol, XLogP of 10.51, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-3-[2-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]-5-phenylphenyl]-3-thiophen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137245155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).