2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

C17H13FN2O4S — CID 11845481

IUPAC2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c2sc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H13FN2O4S/c1-8-11-6-12(9-2-4-10(18)5-3-9)25-16(11)15(23)14(20-8)17(24)19-7-13(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyYTKLKNBNAKZYBP-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.93
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 11845481) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID11845481
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)O)c(O)c2sc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H13FN2O4S/c1-8-11-6-12(9-2-4-10(18)5-3-9)25-16(11)15(23)14(20-8)17(24)19-7-13(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyYTKLKNBNAKZYBP-UHFFFAOYSA-N
XLogP2.93
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (CID 11845481) is 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)O)c(O)c2sc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is YTKLKNBNAKZYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c1-8-11-6-12(9-2-4-10(18)5-3-9)25-16(11)15(23)14(20-8)17(24)19-7-13(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 360.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-7-hydroxy-4-methylthieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 11845481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).