5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid

C14H13N3O3 — CID 82061776

IUPAC5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cnc2c(c1)nc(C)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C14H13N3O3/c1-8-5-11-13(15-6-8)17(9(2)16-11)7-10-3-4-12(20-10)14(18)19/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQNAIFSJZNMUFOK-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.39
Rot. Bonds3

About 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid

5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 82061776) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID82061776
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cnc2c(c1)nc(C)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C14H13N3O3/c1-8-5-11-13(15-6-8)17(9(2)16-11)7-10-3-4-12(20-10)14(18)19/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQNAIFSJZNMUFOK-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid (CID 82061776) is 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid is Cc1cnc2c(c1)nc(C)n2Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is QNAIFSJZNMUFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-5-11-13(15-6-8)17(9(2)16-11)7-10-3-4-12(20-10)14(18)19/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid?
5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 82061776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).