6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C₁₆H₁₇ClN₄O — CID 67353212

About 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67353212) has the molecular formula C₁₆H₁₇ClN₄O and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 67353212
• Molecular Formula: C₁₆H₁₇ClN₄O
• Molecular Weight: 316.79 g/mol
• Exact Mass: 316.11
• IUPAC Name: 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccnc3)c21
• InChI: InChI=1S/C16H17ClN4O/c1-2-3-4-8-21-14-13(11-6-5-7-18-9-11)12(17)10-19-15(14)20-16(21)22/h5-7,9-10H,2-4,8H2,1H3,(H,19,20,22)
• InChIKey: ZZWDQPOHEPLFJX-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.79
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 67353212) is 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccnc3)c21.

What is the InChIKey of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is ZZWDQPOHEPLFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-2-3-4-8-21-14-13(11-6-5-7-18-9-11)12(17)10-19-15(14)20-16(21)22/h5-7,9-10H,2-4,8H2,1H3,(H,19,20,22).

What are the key properties of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 316.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67353212 — identifiers, structure, computed properties (public domain)

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