7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine

C20H14N4S — CID 44528672

IUPAC7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine
SMILESNc1ncc(-c2ccsc2)c2ccc(-c3ccc4cn[nH]c4c3)cc12
InChIInChI=1S/C20H14N4S/c21-20-17-7-12(13-1-2-14-9-23-24-19(14)8-13)3-4-16(17)18(10-22-20)15-5-6-25-11-15/h1-11H,(H2,21,22)(H,23,24)
InChIKeyVHKIACCHHHMMQM-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.09
Rot. Bonds2

About 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine

7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine (PubChem CID 44528672) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine
PubChem CID44528672
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC Name7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine
SMILESNc1ncc(-c2ccsc2)c2ccc(-c3ccc4cn[nH]c4c3)cc12
InChIInChI=1S/C20H14N4S/c21-20-17-7-12(13-1-2-14-9-23-24-19(14)8-13)3-4-16(17)18(10-22-20)15-5-6-25-11-15/h1-11H,(H2,21,22)(H,23,24)
InChIKeyVHKIACCHHHMMQM-UHFFFAOYSA-N
XLogP5.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The IUPAC name of 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine (CID 44528672) is 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine.
What is the SMILES notation for 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The canonical SMILES for 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine is Nc1ncc(-c2ccsc2)c2ccc(-c3ccc4cn[nH]c4c3)cc12.
What is the InChIKey of 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine?
The InChIKey is VHKIACCHHHMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c21-20-17-7-12(13-1-2-14-9-23-24-19(14)8-13)3-4-16(17)18(10-22-20)15-5-6-25-11-15/h1-11H,(H2,21,22)(H,23,24).
What are the key properties of 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine?
7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine has a molecular weight of 342.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-6-yl)-4-thiophen-3-ylisoquinolin-1-amine is sourced from PubChem (CID 44528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).