4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine

C20H12IN3OS — CID 66760125

IUPAC4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(I)c2cc(-c3c(-c4ccccc4)sc4cnccc34)oc12
InChIInChI=1S/C20H12IN3OS/c21-14-9-24-20(22)18-13(14)8-15(25-18)17-12-6-7-23-10-16(12)26-19(17)11-4-2-1-3-5-11/h1-10H,(H2,22,24)
InChIKeyIITXQMDPASPAKD-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.96
Rot. Bonds2

About 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine

4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine (PubChem CID 66760125) has the molecular formula C20H12IN3OS and a molecular weight of 469.31 g/mol. Its IUPAC name is 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine
PubChem CID66760125
Molecular FormulaC20H12IN3OS
Molecular Weight469.31 g/mol
Exact Mass468.97
IUPAC Name4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(I)c2cc(-c3c(-c4ccccc4)sc4cnccc34)oc12
InChIInChI=1S/C20H12IN3OS/c21-14-9-24-20(22)18-13(14)8-15(25-18)17-12-6-7-23-10-16(12)26-19(17)11-4-2-1-3-5-11/h1-10H,(H2,22,24)
InChIKeyIITXQMDPASPAKD-UHFFFAOYSA-N
XLogP5.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine (CID 66760125) is 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine is Nc1ncc(I)c2cc(-c3c(-c4ccccc4)sc4cnccc34)oc12.
What is the InChIKey of 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine?
The InChIKey is IITXQMDPASPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12IN3OS/c21-14-9-24-20(22)18-13(14)8-15(25-18)17-12-6-7-23-10-16(12)26-19(17)11-4-2-1-3-5-11/h1-10H,(H2,22,24).
What are the key properties of 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine?
4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine has a molecular weight of 469.31 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(2-phenylthieno[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 66760125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).