2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide

C20H14FN3OS — CID 171987445

IUPAC2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(N)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14FN3OS/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(18(22)25)19(23)26-20(16)24-15/h1-10H,23H2,(H2,22,25)
InChIKeyRJMBFWLDHBMJTM-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.45
Rot. Bonds3

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

2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 171987445) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID171987445
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC Name2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(N)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H14FN3OS/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(18(22)25)19(23)26-20(16)24-15/h1-10H,23H2,(H2,22,25)
InChIKeyRJMBFWLDHBMJTM-UHFFFAOYSA-N
XLogP4.45
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide (CID 171987445) is 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide is NC(=O)c1c(N)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is RJMBFWLDHBMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(18(22)25)19(23)26-20(16)24-15/h1-10H,23H2,(H2,22,25).
What are the key properties of 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide?
2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171987445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).