N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide

C17H14BrFN2O3S — CID 54733590

IUPACN-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2F)c(O)c2sccc21
InChIInChI=1S/C17H14BrFN2O3S/c1-2-6-21-12-5-7-25-15(12)14(22)13(17(21)24)16(23)20-11-4-3-9(18)8-10(11)19/h3-5,7-8,22H,2,6H2,1H3,(H,20,23)
InChIKeyRANFULSHZBMGJS-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.33
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide

N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733590) has the molecular formula C17H14BrFN2O3S and a molecular weight of 425.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733590
Molecular FormulaC17H14BrFN2O3S
Molecular Weight425.28 g/mol
Exact Mass423.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2F)c(O)c2sccc21
InChIInChI=1S/C17H14BrFN2O3S/c1-2-6-21-12-5-7-25-15(12)14(22)13(17(21)24)16(23)20-11-4-3-9(18)8-10(11)19/h3-5,7-8,22H,2,6H2,1H3,(H,20,23)
InChIKeyRANFULSHZBMGJS-UHFFFAOYSA-N
XLogP4.33
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide (CID 54733590) is N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide is CCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2F)c(O)c2sccc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is RANFULSHZBMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3S/c1-2-6-21-12-5-7-25-15(12)14(22)13(17(21)24)16(23)20-11-4-3-9(18)8-10(11)19/h3-5,7-8,22H,2,6H2,1H3,(H,20,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).