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

C19H26N4O2 — CID 162665884

IUPAC2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccco2)nc2c(NCCCOC)ccnc21
InChIInChI=1S/C19H26N4O2/c1-3-4-5-12-23-18(16-8-6-14-25-16)22-17-15(9-11-21-19(17)23)20-10-7-13-24-2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,20,21)
InChIKeyMAPVIKPJVDLTQE-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.33
Rot. Bonds10

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

2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine (PubChem CID 162665884) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
PubChem CID162665884
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccco2)nc2c(NCCCOC)ccnc21
InChIInChI=1S/C19H26N4O2/c1-3-4-5-12-23-18(16-8-6-14-25-16)22-17-15(9-11-21-19(17)23)20-10-7-13-24-2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,20,21)
InChIKeyMAPVIKPJVDLTQE-UHFFFAOYSA-N
XLogP4.33
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.33
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-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine (CID 162665884) is 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine is CCCCCn1c(-c2ccco2)nc2c(NCCCOC)ccnc21.
What is the InChIKey of 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is MAPVIKPJVDLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-4-5-12-23-18(16-8-6-14-25-16)22-17-15(9-11-21-19(17)23)20-10-7-13-24-2/h6,8-9,11,14H,3-5,7,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine?
2-(furan-2-yl)-N-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 342.44 g/mol, XLogP of 4.33, 10 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-(3-methoxypropyl)-3-pentylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).