3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile

C19H11ClN4OS2 — CID 51348134

IUPAC3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1cccs1
InChIInChI=1S/C19H11ClN4OS2/c20-10-4-1-3-9(7-10)16(25)17-15(22)14-13(12-5-2-6-26-12)11(8-21)18(23)24-19(14)27-17/h1-7H,22H2,(H2,23,24)
InChIKeyALSQDFREHNQATG-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.95
Rot. Bonds3

About 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile

3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 51348134) has the molecular formula C19H11ClN4OS2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID51348134
Molecular FormulaC19H11ClN4OS2
Molecular Weight410.91 g/mol
Exact Mass410.01
IUPAC Name3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1cccs1
InChIInChI=1S/C19H11ClN4OS2/c20-10-4-1-3-9(7-10)16(25)17-15(22)14-13(12-5-2-6-26-12)11(8-21)18(23)24-19(14)27-17/h1-7H,22H2,(H2,23,24)
InChIKeyALSQDFREHNQATG-UHFFFAOYSA-N
XLogP4.95
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile (CID 51348134) is 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1cccs1.
What is the InChIKey of 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is ALSQDFREHNQATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS2/c20-10-4-1-3-9(7-10)16(25)17-15(22)14-13(12-5-2-6-26-12)11(8-21)18(23)24-19(14)27-17/h1-7H,22H2,(H2,23,24).
What are the key properties of 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile?
3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 410.91 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-(3-chlorobenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 51348134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).