2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C13H14N4O — CID 79821490

IUPAC2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cc(C)oc3C)nc2n1
InChIInChI=1S/C13H14N4O/c1-7-6-9(8(2)18-7)12-15-10-4-5-11(14-3)16-13(10)17-12/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyKTTBUNPJSOLXDI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.88
Rot. Bonds2

About 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821490) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821490
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cc(C)oc3C)nc2n1
InChIInChI=1S/C13H14N4O/c1-7-6-9(8(2)18-7)12-15-10-4-5-11(14-3)16-13(10)17-12/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyKTTBUNPJSOLXDI-UHFFFAOYSA-N
XLogP2.88
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821490) is 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3cc(C)oc3C)nc2n1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is KTTBUNPJSOLXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-6-9(8(2)18-7)12-15-10-4-5-11(14-3)16-13(10)17-12/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 242.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).