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

C18H12N4OS — CID 134190049

IUPACN-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(-c5ccsc5)coc4c3)n[nH]c2c1
InChIInChI=1S/C18H12N4OS/c1-2-15-17(19-6-1)18(22-21-15)20-12-3-4-13-14(9-23-16(13)8-12)11-5-7-24-10-11/h1-10H,(H2,20,21,22)
InChIKeyIIDQFRTWCAAUAK-UHFFFAOYSA-N
MW332.39 g/mol
LogP5.18
Rot. Bonds3

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

N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134190049) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134190049
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC NameN-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(-c5ccsc5)coc4c3)n[nH]c2c1
InChIInChI=1S/C18H12N4OS/c1-2-15-17(19-6-1)18(22-21-15)20-12-3-4-13-14(9-23-16(13)8-12)11-5-7-24-10-11/h1-10H,(H2,20,21,22)
InChIKeyIIDQFRTWCAAUAK-UHFFFAOYSA-N
XLogP5.18
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134190049) is N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is c1cnc2c(Nc3ccc4c(-c5ccsc5)coc4c3)n[nH]c2c1.
What is the InChIKey of N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is IIDQFRTWCAAUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c1-2-15-17(19-6-1)18(22-21-15)20-12-3-4-13-14(9-23-16(13)8-12)11-5-7-24-10-11/h1-10H,(H2,20,21,22).
What are the key properties of N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 332.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-3-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134190049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).