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

C13H20N4O — CID 115322202

IUPAC5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(C(C)CC(C)C)c2n1
InChIInChI=1S/C13H20N4O/c1-8(2)7-9(3)17-12-10(15-13(17)14)5-6-11(16-12)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,15)
InChIKeyRHFNWTQNHDOFLB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.63
Rot. Bonds4

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

5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 115322202) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID115322202
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(C(C)CC(C)C)c2n1
InChIInChI=1S/C13H20N4O/c1-8(2)7-9(3)17-12-10(15-13(17)14)5-6-11(16-12)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,15)
InChIKeyRHFNWTQNHDOFLB-UHFFFAOYSA-N
XLogP2.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxypropan-2-yl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322330
2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)-N-methylpropanamide
CID 113286854
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
3-[1-(2-chlorophenyl)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322282
2-(chloromethyl)-5-methoxy-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115323110
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
3-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81135434
3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
3-(4-ethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322255
3-(1-ethylcyclobutyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 113488928

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine (CID 115322202) is 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine is COc1ccc2nc(N)n(C(C)CC(C)C)c2n1.
What is the InChIKey of 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is RHFNWTQNHDOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8(2)7-9(3)17-12-10(15-13(17)14)5-6-11(16-12)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,15).
What are the key properties of 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine?
5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 115322202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).