3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile

C17H12ClN3S — CID 790989

IUPAC3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C17H12ClN3S/c18-11-5-3-9(4-6-11)12-7-13(10-1-2-10)21-17-15(12)16(20)14(8-19)22-17/h3-7,10H,1-2,20H2
InChIKeyAYQQGYIYYGFQGA-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.95
Rot. Bonds2

About 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 790989) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID790989
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C17H12ClN3S/c18-11-5-3-9(4-6-11)12-7-13(10-1-2-10)21-17-15(12)16(20)14(8-19)22-17/h3-7,10H,1-2,20H2
InChIKeyAYQQGYIYYGFQGA-UHFFFAOYSA-N
XLogP4.95
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile (CID 790989) is 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is AYQQGYIYYGFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-11-5-3-9(4-6-11)12-7-13(10-1-2-10)21-17-15(12)16(20)14(8-19)22-17/h3-7,10H,1-2,20H2.
What are the key properties of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 325.82 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 790989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).