3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

C18H10FN3S2 — CID 4271672

IUPAC3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C18H10FN3S2/c19-11-5-3-10(4-6-11)12-8-13(14-2-1-7-23-14)22-18-16(12)17(21)15(9-20)24-18/h1-8H,21H2
InChIKeyVNWFBDNPAQMDRO-UHFFFAOYSA-N
MW351.43 g/mol
LogP5.28
Rot. Bonds2

About 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 4271672) has the molecular formula C18H10FN3S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID4271672
Molecular FormulaC18H10FN3S2
Molecular Weight351.43 g/mol
Exact Mass351.03
IUPAC Name3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C18H10FN3S2/c19-11-5-3-10(4-6-11)12-8-13(14-2-1-7-23-14)22-18-16(12)17(21)15(9-20)24-18/h1-8H,21H2
InChIKeyVNWFBDNPAQMDRO-UHFFFAOYSA-N
XLogP5.28
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (CID 4271672) is 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is VNWFBDNPAQMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3S2/c19-11-5-3-10(4-6-11)12-8-13(14-2-1-7-23-14)22-18-16(12)17(21)15(9-20)24-18/h1-8H,21H2.
What are the key properties of 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 351.43 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 4271672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).