N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C23H18F3N3O3S — CID 140783975

IUPACN-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2c(C(F)(F)F)cc(N)c(OC)c2NC(=O)c2cc3cccnc3s2)c1
InChIInChI=1S/C23H18F3N3O3S/c1-31-14-7-3-5-12(9-14)18-15(23(24,25)26)11-16(27)20(32-2)19(18)29-21(30)17-10-13-6-4-8-28-22(13)33-17/h3-11H,27H2,1-2H3,(H,29,30)
InChIKeyLTBLZUFYRWKCFT-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.83
Rot. Bonds5

About N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 140783975) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID140783975
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC NameN-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2c(C(F)(F)F)cc(N)c(OC)c2NC(=O)c2cc3cccnc3s2)c1
InChIInChI=1S/C23H18F3N3O3S/c1-31-14-7-3-5-12(9-14)18-15(23(24,25)26)11-16(27)20(32-2)19(18)29-21(30)17-10-13-6-4-8-28-22(13)33-17/h3-11H,27H2,1-2H3,(H,29,30)
InChIKeyLTBLZUFYRWKCFT-UHFFFAOYSA-N
XLogP5.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 140783975) is N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2c(C(F)(F)F)cc(N)c(OC)c2NC(=O)c2cc3cccnc3s2)c1.
What is the InChIKey of N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LTBLZUFYRWKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c1-31-14-7-3-5-12(9-14)18-15(23(24,25)26)11-16(27)20(32-2)19(18)29-21(30)17-10-13-6-4-8-28-22(13)33-17/h3-11H,27H2,1-2H3,(H,29,30).
What are the key properties of N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-methoxy-6-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 140783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).