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

C19H24N4O2 — CID 162664022

IUPAC3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOCCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1
InChIInChI=1S/C19H24N4O2/c1-24-12-5-10-20-15-9-11-21-19-17(15)22-18(16-8-4-13-25-16)23(19)14-6-2-3-7-14/h4,8-9,11,13-14H,2-3,5-7,10,12H2,1H3,(H,20,21)
InChIKeyBMGBYNFHXQAOCE-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.25
Rot. Bonds7

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

3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 162664022) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID162664022
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine
SMILESCOCCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1
InChIInChI=1S/C19H24N4O2/c1-24-12-5-10-20-15-9-11-21-19-17(15)22-18(16-8-4-13-25-16)23(19)14-6-2-3-7-14/h4,8-9,11,13-14H,2-3,5-7,10,12H2,1H3,(H,20,21)
InChIKeyBMGBYNFHXQAOCE-UHFFFAOYSA-N
XLogP4.25
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.25
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-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine (CID 162664022) is 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine is COCCCNc1ccnc2c1nc(-c1ccco1)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is BMGBYNFHXQAOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-24-12-5-10-20-15-9-11-21-19-17(15)22-18(16-8-4-13-25-16)23(19)14-6-2-3-7-14/h4,8-9,11,13-14H,2-3,5-7,10,12H2,1H3,(H,20,21).
What are the key properties of 3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine?
3-cyclopentyl-2-(furan-2-yl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 340.43 g/mol, XLogP of 4.25, 7 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-(3-methoxypropyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).