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

C12H16N4O2 — CID 66235780

IUPAC4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C12H16N4O2/c1-13-9-6-18-5-7(9)11-14-8-3-4-10(17-2)15-12(8)16-11/h3-4,7,9,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyGNBZVCGPDPKOBQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.67
Rot. Bonds3

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

4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine (PubChem CID 66235780) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
PubChem CID66235780
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C12H16N4O2/c1-13-9-6-18-5-7(9)11-14-8-3-4-10(17-2)15-12(8)16-11/h3-4,7,9,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyGNBZVCGPDPKOBQ-UHFFFAOYSA-N
XLogP0.67
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine (CID 66235780) is 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nc2nc(OC)ccc2[nH]1.
What is the InChIKey of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine?
The InChIKey is GNBZVCGPDPKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-9-6-18-5-7(9)11-14-8-3-4-10(17-2)15-12(8)16-11/h3-4,7,9,13H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine?
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine has a molecular weight of 248.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 66235780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).