5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine

C12H16N4O2 — CID 82728092

IUPAC5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(C3CCOC3C)c2n1
InChIInChI=1S/C12H16N4O2/c1-7-9(5-6-18-7)16-11-8(14-12(16)13)3-4-10(15-11)17-2/h3-4,7,9H,5-6H2,1-2H3,(H2,13,14)
InChIKeyBSUPLDIRHNLZMG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.37
Rot. Bonds2

About 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine

5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 82728092) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID82728092
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(C3CCOC3C)c2n1
InChIInChI=1S/C12H16N4O2/c1-7-9(5-6-18-7)16-11-8(14-12(16)13)3-4-10(15-11)17-2/h3-4,7,9H,5-6H2,1-2H3,(H2,13,14)
InChIKeyBSUPLDIRHNLZMG-UHFFFAOYSA-N
XLogP1.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine (CID 82728092) is 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine is COc1ccc2nc(N)n(C3CCOC3C)c2n1.
What is the InChIKey of 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is BSUPLDIRHNLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-9(5-6-18-7)16-11-8(14-12(16)13)3-4-10(15-11)17-2/h3-4,7,9H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine?
5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 82728092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).