5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

C19H20ClN5O2 — CID 1433777

About 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433777) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 1433777
• Molecular Formula: C19H20ClN5O2
• Molecular Weight: 385.86 g/mol
• Exact Mass: 385.13
• IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCCC1
• InChI: InChI=1S/C19H20ClN5O2/c20-15-7-3-4-8-16(15)25-18-14(11-22-25)19(27)24(13-21-18)12-17(26)23-9-5-1-2-6-10-23/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2
• InChIKey: ARMZGGGDVWFHEA-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 73.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.86
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 1433777) is 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCCC1.

What is the InChIKey of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is ARMZGGGDVWFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-15-7-3-4-8-16(15)25-18-14(11-22-25)19(27)24(13-21-18)12-17(26)23-9-5-1-2-6-10-23/h3-4,7-8,11,13H,1-2,5-6,9-10,12H2.

What are the key properties of 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?

5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 385.86 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).