6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile

C18H13FN2S — CID 176565764

IUPAC6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1cc2c(-c3ccc(F)cc3)c(C#N)c(C3CC3)nc2s1
InChIInChI=1S/C18H13FN2S/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-20)17(12-2-3-12)21-18(14)22-10/h4-8,12H,2-3H2,1H3
InChIKeyPZCXNEVCAFHZFC-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.16
Rot. Bonds2

About 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile

6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 176565764) has the molecular formula C18H13FN2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID176565764
Molecular FormulaC18H13FN2S
Molecular Weight308.38 g/mol
Exact Mass308.08
IUPAC Name6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1cc2c(-c3ccc(F)cc3)c(C#N)c(C3CC3)nc2s1
InChIInChI=1S/C18H13FN2S/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-20)17(12-2-3-12)21-18(14)22-10/h4-8,12H,2-3H2,1H3
InChIKeyPZCXNEVCAFHZFC-UHFFFAOYSA-N
XLogP5.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile (CID 176565764) is 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile is Cc1cc2c(-c3ccc(F)cc3)c(C#N)c(C3CC3)nc2s1.
What is the InChIKey of 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PZCXNEVCAFHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2S/c1-10-8-14-16(11-4-6-13(19)7-5-11)15(9-20)17(12-2-3-12)21-18(14)22-10/h4-8,12H,2-3H2,1H3.
What are the key properties of 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile?
6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 176565764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).