N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H18N4O3 — CID 134189975

IUPACN-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCCOc1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H18N4O3/c1-23-8-3-9-24-16-11-25-15-10-12(5-6-13(15)16)20-18-17-14(21-22-18)4-2-7-19-17/h2,4-7,10-11H,3,8-9H2,1H3,(H2,20,21,22)
InChIKeyYPYROJJMLLMOIS-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.86
Rot. Bonds7

About N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134189975) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134189975
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOCCCOc1coc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H18N4O3/c1-23-8-3-9-24-16-11-25-15-10-12(5-6-13(15)16)20-18-17-14(21-22-18)4-2-7-19-17/h2,4-7,10-11H,3,8-9H2,1H3,(H2,20,21,22)
InChIKeyYPYROJJMLLMOIS-UHFFFAOYSA-N
XLogP3.86
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134189975) is N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is COCCCOc1coc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YPYROJJMLLMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-23-8-3-9-24-16-11-25-15-10-12(5-6-13(15)16)20-18-17-14(21-22-18)4-2-7-19-17/h2,4-7,10-11H,3,8-9H2,1H3,(H2,20,21,22).
What are the key properties of N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 338.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134189975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).