2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine

C18H24N4O2 — CID 162674144

IUPAC2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccco2)nc2c(NCCOC)ccnc21
InChIInChI=1S/C18H24N4O2/c1-3-4-5-11-22-17(15-7-6-12-24-15)21-16-14(19-10-13-23-2)8-9-20-18(16)22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20)
InChIKeyORXUTGADXGLUKR-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.94
Rot. Bonds9

About 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine

2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine (PubChem CID 162674144) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
PubChem CID162674144
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccco2)nc2c(NCCOC)ccnc21
InChIInChI=1S/C18H24N4O2/c1-3-4-5-11-22-17(15-7-6-12-24-15)21-16-14(19-10-13-23-2)8-9-20-18(16)22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20)
InChIKeyORXUTGADXGLUKR-UHFFFAOYSA-N
XLogP3.94
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine (CID 162674144) is 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine is CCCCCn1c(-c2ccco2)nc2c(NCCOC)ccnc21.
What is the InChIKey of 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is ORXUTGADXGLUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-4-5-11-22-17(15-7-6-12-24-15)21-16-14(19-10-13-23-2)8-9-20-18(16)22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 328.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-methoxyethyl)-3-pentylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).