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

C26H20Cl2N8O3 — CID 136604077

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

1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136604077) has the molecular formula C26H20Cl2N8O3 and a molecular weight of 563.41 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 136604077
• Molecular Formula: C26H20Cl2N8O3
• Molecular Weight: 563.41 g/mol
• Exact Mass: 562.10
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)n1
• InChI: InChI=1S/C26H20Cl2N8O3/c1-14-9-21(30-24(38)15-10-22(37)34(13-15)18-7-5-16(27)6-8-18)36(33-14)26-31-23-20(25(39)32-26)12-29-35(23)19-4-2-3-17(28)11-19/h2-9,11-12,15H,10,13H2,1H3,(H,30,38)(H,31,32,39)
• InChIKey: FWUNLLFCPRHDIK-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 130.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.41
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 136604077) is 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)n1.

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

The InChIKey is FWUNLLFCPRHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N8O3/c1-14-9-21(30-24(38)15-10-22(37)34(13-15)18-7-5-16(27)6-8-18)36(33-14)26-31-23-20(25(39)32-26)12-29-35(23)19-4-2-3-17(28)11-19/h2-9,11-12,15H,10,13H2,1H3,(H,30,38)(H,31,32,39).

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

1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 563.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136604077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).