3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C27H17ClF3N3OS — CID 3131970

IUPAC3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C27H17ClF3N3OS/c28-18-11-9-15(10-12-18)20-14-21(16-5-2-1-3-6-16)34-26-22(20)23(32)24(36-26)25(35)33-19-8-4-7-17(13-19)27(29,30)31/h1-14H,32H2,(H,33,35)
InChIKeyWVEUDKVBFZBLEN-UHFFFAOYSA-N
MW523.97 g/mol
LogP8.14
Rot. Bonds4

About 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3131970) has the molecular formula C27H17ClF3N3OS and a molecular weight of 523.97 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3131970
Molecular FormulaC27H17ClF3N3OS
Molecular Weight523.97 g/mol
Exact Mass523.07
IUPAC Name3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C27H17ClF3N3OS/c28-18-11-9-15(10-12-18)20-14-21(16-5-2-1-3-6-16)34-26-22(20)23(32)24(36-26)25(35)33-19-8-4-7-17(13-19)27(29,30)31/h1-14H,32H2,(H,33,35)
InChIKeyWVEUDKVBFZBLEN-UHFFFAOYSA-N
XLogP8.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.97
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-6-(4-methoxyphenyl)-N-phenyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 4086089
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3120416
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-4-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129592

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 3131970) is 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WVEUDKVBFZBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClF3N3OS/c28-18-11-9-15(10-12-18)20-14-21(16-5-2-1-3-6-16)34-26-22(20)23(32)24(36-26)25(35)33-19-8-4-7-17(13-19)27(29,30)31/h1-14H,32H2,(H,33,35).
What are the key properties of 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 523.97 g/mol, XLogP of 8.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3131970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).