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

C18H22N4O2 — CID 162662634

IUPAC3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1
InChIInChI=1S/C18H22N4O2/c1-23-12-10-19-14-8-9-20-18-16(14)21-17(15-7-4-11-24-15)22(18)13-5-2-3-6-13/h4,7-9,11,13H,2-3,5-6,10,12H2,1H3,(H,19,20)
InChIKeyKCPDFAGFEFTRET-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.86
Rot. Bonds6

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

3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 162662634) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID162662634
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1
InChIInChI=1S/C18H22N4O2/c1-23-12-10-19-14-8-9-20-18-16(14)21-17(15-7-4-11-24-15)22(18)13-5-2-3-6-13/h4,7-9,11,13H,2-3,5-6,10,12H2,1H3,(H,19,20)
InChIKeyKCPDFAGFEFTRET-UHFFFAOYSA-N
XLogP3.86
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.86
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 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine (CID 162662634) is 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine is COCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is KCPDFAGFEFTRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-23-12-10-19-14-8-9-20-18-16(14)21-17(15-7-4-11-24-15)22(18)13-5-2-3-6-13/h4,7-9,11,13H,2-3,5-6,10,12H2,1H3,(H,19,20).
What are the key properties of 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine?
3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 326.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(furan-2-yl)-N-(2-methoxyethyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162662634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).