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

C18H16N4O3 — CID 134189974

IUPACN-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(OC5CCOC5)coc4c3)n[nH]c2c1
InChIInChI=1S/C18H16N4O3/c1-2-14-17(19-6-1)18(22-21-14)20-11-3-4-13-15(8-11)24-10-16(13)25-12-5-7-23-9-12/h1-4,6,8,10,12H,5,7,9H2,(H2,20,21,22)
InChIKeyCKHKUJJPJVHBLJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.62
Rot. Bonds4

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

N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134189974) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134189974
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(OC5CCOC5)coc4c3)n[nH]c2c1
InChIInChI=1S/C18H16N4O3/c1-2-14-17(19-6-1)18(22-21-14)20-11-3-4-13-15(8-11)24-10-16(13)25-12-5-7-23-9-12/h1-4,6,8,10,12H,5,7,9H2,(H2,20,21,22)
InChIKeyCKHKUJJPJVHBLJ-UHFFFAOYSA-N
XLogP3.62
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134189974) is N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is c1cnc2c(Nc3ccc4c(OC5CCOC5)coc4c3)n[nH]c2c1.
What is the InChIKey of N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is CKHKUJJPJVHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-2-14-17(19-6-1)18(22-21-14)20-11-3-4-13-15(8-11)24-10-16(13)25-12-5-7-23-9-12/h1-4,6,8,10,12H,5,7,9H2,(H2,20,21,22).
What are the key properties of N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 336.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134189974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).