3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C20H13F2N3OS — CID 1002396

IUPAC3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C20H13F2N3OS/c21-12-3-1-11(2-4-12)16-10-9-15-17(23)18(27-20(15)25-16)19(26)24-14-7-5-13(22)6-8-14/h1-10H,23H2,(H,24,26)
InChIKeyAKSBOCVFQIWJAV-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.08
Rot. Bonds3

About 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1002396) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1002396
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C20H13F2N3OS/c21-12-3-1-11(2-4-12)16-10-9-15-17(23)18(27-20(15)25-16)19(26)24-14-7-5-13(22)6-8-14/h1-10H,23H2,(H,24,26)
InChIKeyAKSBOCVFQIWJAV-UHFFFAOYSA-N
XLogP5.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1002396) is 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AKSBOCVFQIWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c21-12-3-1-11(2-4-12)16-10-9-15-17(23)18(27-20(15)25-16)19(26)24-14-7-5-13(22)6-8-14/h1-10H,23H2,(H,24,26).
What are the key properties of 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1002396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).