N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C26H21ClN8O3 — CID 136604195

About N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 136604195) has the molecular formula C26H21ClN8O3 and a molecular weight of 528.96 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
• PubChem CID: 136604195
• Molecular Formula: C26H21ClN8O3
• Molecular Weight: 528.96 g/mol
• Exact Mass: 528.14
• IUPAC Name: N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1
• InChI: InChI=1S/C26H21ClN8O3/c1-15-11-21(29-24(37)16-12-22(36)33(14-16)18-5-3-2-4-6-18)35(32-15)26-30-23-20(25(38)31-26)13-28-34(23)19-9-7-17(27)8-10-19/h2-11,13,16H,12,14H2,1H3,(H,29,37)(H,30,31,38)
• InChIKey: DYAZCTWKGSLODK-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 130.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.96
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?

The IUPAC name of N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 136604195) is N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)n1.

What is the InChIKey of N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?

The InChIKey is DYAZCTWKGSLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN8O3/c1-15-11-21(29-24(37)16-12-22(36)33(14-16)18-5-3-2-4-6-18)35(32-15)26-30-23-20(25(38)31-26)13-28-34(23)19-9-7-17(27)8-10-19/h2-11,13,16H,12,14H2,1H3,(H,29,37)(H,30,31,38).

What are the key properties of N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?

N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 528.96 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136604195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).