7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine

C₁₁H₈ClN₅ — CID 165130545

About 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine

7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine (PubChem CID 165130545) has the molecular formula C₁₁H₈ClN₅ and a molecular weight of 245.67 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
• PubChem CID: 165130545
• Molecular Formula: C₁₁H₈ClN₅
• Molecular Weight: 245.67 g/mol
• Exact Mass: 245.05
• IUPAC Name: 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
• SMILES: Cn1ncc2nc(-c3ccccn3)nc(Cl)c21
• InChI: InChI=1S/C11H8ClN5/c1-17-9-8(6-14-17)15-11(16-10(9)12)7-4-2-3-5-13-7/h2-6H,1H3
• InChIKey: KTUUFQLNVPWEJH-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.67
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?

The IUPAC name of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine (CID 165130545) is 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine.

What is the SMILES notation for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?

The canonical SMILES for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine is Cn1ncc2nc(-c3ccccn3)nc(Cl)c21.

What is the InChIKey of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?

The InChIKey is KTUUFQLNVPWEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-17-9-8(6-14-17)15-11(16-10(9)12)7-4-2-3-5-13-7/h2-6H,1H3.

What are the key properties of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?

7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine has a molecular weight of 245.67 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 165130545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165130545 — identifiers, structure, computed properties (public domain)

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