5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide

C20H14BrN7O3 — CID 135880861

About 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 135880861) has the molecular formula C20H14BrN7O3 and a molecular weight of 480.28 g/mol. Its IUPAC name is 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 135880861
• Molecular Formula: C20H14BrN7O3
• Molecular Weight: 480.28 g/mol
• Exact Mass: 479.03
• IUPAC Name: 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1
• InChI: InChI=1S/C20H14BrN7O3/c1-11-9-16(23-19(30)14-7-8-15(21)31-14)28(26-11)20-24-17-13(18(29)25-20)10-22-27(17)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,30)(H,24,25,29)
• InChIKey: CSGUERGXAJLHRO-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 123.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.28
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide (CID 135880861) is 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1.

What is the InChIKey of 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide?

The InChIKey is CSGUERGXAJLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN7O3/c1-11-9-16(23-19(30)14-7-8-15(21)31-14)28(26-11)20-24-17-13(18(29)25-20)10-22-27(17)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,30)(H,24,25,29).

What are the key properties of 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide?

5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 480.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 135880861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).