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

C12H17N3O2 — CID 68737232

IUPAC6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(OC)cc21
InChIInChI=1S/C12H17N3O2/c1-3-4-5-6-15-10-7-9(17-2)8-13-11(10)14-12(15)16/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMRAVOYDWKJWPKI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.92
Rot. Bonds5

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

6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 68737232) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID68737232
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(OC)cc21
InChIInChI=1S/C12H17N3O2/c1-3-4-5-6-15-10-7-9(17-2)8-13-11(10)14-12(15)16/h7-8H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMRAVOYDWKJWPKI-UHFFFAOYSA-N
XLogP1.92
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (CID 68737232) is 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ncc(OC)cc21.
What is the InChIKey of 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is MRAVOYDWKJWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-5-6-15-10-7-9(17-2)8-13-11(10)14-12(15)16/h7-8H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68737232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).