3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C18H11F3N4OS2 — CID 1035930

IUPAC3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H11F3N4OS2/c19-18(20,21)9-8-10(11-4-3-7-27-11)24-17-13(9)14(22)15(28-17)16(26)25-12-5-1-2-6-23-12/h1-8H,22H2,(H,23,25,26)
InChIKeyAZVJRYRWSYNJDA-UHFFFAOYSA-N
MW420.44 g/mol
LogP5.27
Rot. Bonds3

About 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1035930) has the molecular formula C18H11F3N4OS2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1035930
Molecular FormulaC18H11F3N4OS2
Molecular Weight420.44 g/mol
Exact Mass420.03
IUPAC Name3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H11F3N4OS2/c19-18(20,21)9-8-10(11-4-3-7-27-11)24-17-13(9)14(22)15(28-17)16(26)25-12-5-1-2-6-23-12/h1-8H,22H2,(H,23,25,26)
InChIKeyAZVJRYRWSYNJDA-UHFFFAOYSA-N
XLogP5.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1035930) is 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AZVJRYRWSYNJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS2/c19-18(20,21)9-8-10(11-4-3-7-27-11)24-17-13(9)14(22)15(28-17)16(26)25-12-5-1-2-6-23-12/h1-8H,22H2,(H,23,25,26).
What are the key properties of 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridin-2-yl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1035930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).