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

C16H18N4O — CID 114917451

IUPAC1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
SMILESCOc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-21-14-10-9-13-16(19-14)20-15(18-13)12(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,17H2,1H3,(H,18,19,20)
InChIKeyKSJKKWNOJISHHI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.60
Rot. Bonds5

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

1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine (PubChem CID 114917451) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
PubChem CID114917451
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
SMILESCOc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-21-14-10-9-13-16(19-14)20-15(18-13)12(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,17H2,1H3,(H,18,19,20)
InChIKeyKSJKKWNOJISHHI-UHFFFAOYSA-N
XLogP2.60
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-3-phenylpropyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 114917465
3-amino-1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
CID 107835434
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
CID 114917404
3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
CID 79815419
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
CID 103373753
N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine
CID 65483261
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylpentan-1-amine
CID 65482865
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46944113
3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 79821202
[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine
CID 118905552
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482700

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine (CID 114917451) is 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine is COc1ccc2[nH]c(C(N)CCc3ccccc3)nc2n1.
What is the InChIKey of 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine?
The InChIKey is KSJKKWNOJISHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-14-10-9-13-16(19-14)20-15(18-13)12(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,17H2,1H3,(H,18,19,20).
What are the key properties of 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine?
1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 114917451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).