4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile

C24H10N4OS — CID 71278346

IUPAC4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3ccc4sc5cc(C#N)ncc5c4c3)cncc12
InChIInChI=1S/C24H10N4OS/c25-8-13-1-3-16-20-11-27-10-18(24(20)29-21(16)5-13)14-2-4-22-17(6-14)19-12-28-15(9-26)7-23(19)30-22/h1-7,10-12H
InChIKeyZKMGTBVCFVAORO-UHFFFAOYSA-N
MW402.44 g/mol
LogP6.15
Rot. Bonds1

About 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile

4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile (PubChem CID 71278346) has the molecular formula C24H10N4OS and a molecular weight of 402.44 g/mol. Its IUPAC name is 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile
PubChem CID71278346
Molecular FormulaC24H10N4OS
Molecular Weight402.44 g/mol
Exact Mass402.06
IUPAC Name4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3ccc4sc5cc(C#N)ncc5c4c3)cncc12
InChIInChI=1S/C24H10N4OS/c25-8-13-1-3-16-20-11-27-10-18(24(20)29-21(16)5-13)14-2-4-22-17(6-14)19-12-28-15(9-26)7-23(19)30-22/h1-7,10-12H
InChIKeyZKMGTBVCFVAORO-UHFFFAOYSA-N
XLogP6.15
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile (CID 71278346) is 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile is N#Cc1ccc2c(c1)oc1c(-c3ccc4sc5cc(C#N)ncc5c4c3)cncc12.
What is the InChIKey of 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile?
The InChIKey is ZKMGTBVCFVAORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N4OS/c25-8-13-1-3-16-20-11-27-10-18(24(20)29-21(16)5-13)14-2-4-22-17(6-14)19-12-28-15(9-26)7-23(19)30-22/h1-7,10-12H.
What are the key properties of 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile?
4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile has a molecular weight of 402.44 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-[1]benzothiolo[3,2-c]pyridin-8-yl)-[1]benzofuro[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 71278346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).