5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide

C23H18ClN7O3 — CID 136603914

About 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide

5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide (PubChem CID 136603914) has the molecular formula C23H18ClN7O3 and a molecular weight of 475.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
• PubChem CID: 136603914
• Molecular Formula: C23H18ClN7O3
• Molecular Weight: 475.90 g/mol
• Exact Mass: 475.12
• IUPAC Name: 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
• InChI: InChI=1S/C23H18ClN7O3/c1-13-10-19(26-21(32)16-11-14(24)8-9-18(16)34-2)31(29-13)23-27-20-17(22(33)28-23)12-25-30(20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,32)(H,27,28,33)
• InChIKey: LMZJHMXSMWEYFQ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 119.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.90
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide (CID 136603914) is 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide.

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

The canonical SMILES for 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.

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

The InChIKey is LMZJHMXSMWEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O3/c1-13-10-19(26-21(32)16-11-14(24)8-9-18(16)34-2)31(29-13)23-27-20-17(22(33)28-23)12-25-30(20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,32)(H,27,28,33).

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

5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide has a molecular weight of 475.90 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 136603914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).