3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide

C23H18F3N3O3S — CID 1283826

IUPAC3-amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)OC)N
InChIInChI=1S/C23H18F3N3O3S/c1-31-14-7-3-12(4-8-14)17-11-16(23(24,25)26)18-19(27)20(33-22(18)29-17)21(30)28-13-5-9-15(32-2)10-6-13/h3-11H,27H2,1-2H3,(H,28,30)
InChIKeyXFHSRAWOGLTFHA-UHFFFAOYSA-N
MW473.50 g/mol
LogP5.70
Rot. Bonds5

About 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide

3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide (PubChem CID 1283826) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
PubChem CID1283826
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.50 g/mol
Exact Mass473.10
IUPAC Name3-amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)OC)N
InChIInChI=1S/C23H18F3N3O3S/c1-31-14-7-3-12(4-8-14)17-11-16(23(24,25)26)18-19(27)20(33-22(18)29-17)21(30)28-13-5-9-15(32-2)10-6-13/h3-11H,27H2,1-2H3,(H,28,30)
InChIKeyXFHSRAWOGLTFHA-UHFFFAOYSA-N
XLogP5.70
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity669

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide?
The IUPAC name of 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide (CID 1283826) is 3-amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide?
The canonical SMILES for 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide is COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)OC)N.
What is the InChIKey of 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide?
The InChIKey is XFHSRAWOGLTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c1-31-14-7-3-12(4-8-14)17-11-16(23(24,25)26)18-19(27)20(33-22(18)29-17)21(30)28-13-5-9-15(32-2)10-6-13/h3-11H,27H2,1-2H3,(H,28,30).
What are the key properties of 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide?
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide is sourced from PubChem (CID 1283826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).