3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C13H14N4O — CID 79288101

IUPAC3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CCc1ccco1
InChIInChI=1S/C13H14N4O/c1-9-4-6-15-12-11(9)16-13(14)17(12)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3,(H2,14,16)
InChIKeyUMMKVPCMUSJJPH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds3

About 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79288101) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79288101
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CCc1ccco1
InChIInChI=1S/C13H14N4O/c1-9-4-6-15-12-11(9)16-13(14)17(12)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3,(H2,14,16)
InChIKeyUMMKVPCMUSJJPH-UHFFFAOYSA-N
XLogP2.16
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79288101) is 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2CCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is UMMKVPCMUSJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-4-6-15-12-11(9)16-13(14)17(12)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3,(H2,14,16).
What are the key properties of 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 242.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).