3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C20H12ClF3N4OS — CID 1239600

IUPAC3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H12ClF3N4OS/c21-14-3-1-11(9-13(14)20(22,23)24)27-18(29)17-16(25)12-2-4-15(28-19(12)30-17)10-5-7-26-8-6-10/h1-9H,25H2,(H,27,29)
InChIKeyHOENMPIVHMZBQH-UHFFFAOYSA-N
MW448.86 g/mol
LogP5.86
Rot. Bonds3

About 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1239600) has the molecular formula C20H12ClF3N4OS and a molecular weight of 448.86 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1239600
Molecular FormulaC20H12ClF3N4OS
Molecular Weight448.86 g/mol
Exact Mass448.04
IUPAC Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H12ClF3N4OS/c21-14-3-1-11(9-13(14)20(22,23)24)27-18(29)17-16(25)12-2-4-15(28-19(12)30-17)10-5-7-26-8-6-10/h1-9H,25H2,(H,27,29)
InChIKeyHOENMPIVHMZBQH-UHFFFAOYSA-N
XLogP5.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide 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-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1239600) is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HOENMPIVHMZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4OS/c21-14-3-1-11(9-13(14)20(22,23)24)27-18(29)17-16(25)12-2-4-15(28-19(12)30-17)10-5-7-26-8-6-10/h1-9H,25H2,(H,27,29).
What are the key properties of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 448.86 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1239600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).