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

C17H10FN3O4S — CID 11845479

IUPAC2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESN#Cc1nc(C(=O)NCC(=O)O)c(O)c2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H10FN3O4S/c18-9-3-1-8(2-4-9)10-7-26-16-13(10)11(5-19)21-14(15(16)24)17(25)20-6-12(22)23/h1-4,7,24H,6H2,(H,20,25)(H,22,23)
InChIKeyUWUUUZNLSQXSLV-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.49
Rot. Bonds4

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

2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 11845479) has the molecular formula C17H10FN3O4S and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID11845479
Molecular FormulaC17H10FN3O4S
Molecular Weight371.35 g/mol
Exact Mass371.04
IUPAC Name2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESN#Cc1nc(C(=O)NCC(=O)O)c(O)c2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H10FN3O4S/c18-9-3-1-8(2-4-9)10-7-26-16-13(10)11(5-19)21-14(15(16)24)17(25)20-6-12(22)23/h1-4,7,24H,6H2,(H,20,25)(H,22,23)
InChIKeyUWUUUZNLSQXSLV-UHFFFAOYSA-N
XLogP2.49
TPSA123.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (CID 11845479) is 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is N#Cc1nc(C(=O)NCC(=O)O)c(O)c2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is UWUUUZNLSQXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O4S/c18-9-3-1-8(2-4-9)10-7-26-16-13(10)11(5-19)21-14(15(16)24)17(25)20-6-12(22)23/h1-4,7,24H,6H2,(H,20,25)(H,22,23).
What are the key properties of 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 371.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-3-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 11845479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).