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

C22H14F2N2O4S — CID 11845482

IUPAC2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C22H14F2N2O4S/c23-13-5-1-11(2-6-13)17-15-9-25-18(22(30)26-10-16(27)28)19(29)21(15)31-20(17)12-3-7-14(24)8-4-12/h1-9,29H,10H2,(H,26,30)(H,27,28)
InChIKeyDVXFZJOVQSKPIP-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.43
Rot. Bonds5

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

2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 11845482) has the molecular formula C22H14F2N2O4S and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID11845482
Molecular FormulaC22H14F2N2O4S
Molecular Weight440.43 g/mol
Exact Mass440.06
IUPAC Name2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)sc2c1O
InChIInChI=1S/C22H14F2N2O4S/c23-13-5-1-11(2-6-13)17-15-9-25-18(22(30)26-10-16(27)28)19(29)21(15)31-20(17)12-3-7-14(24)8-4-12/h1-9,29H,10H2,(H,26,30)(H,27,28)
InChIKeyDVXFZJOVQSKPIP-UHFFFAOYSA-N
XLogP4.43
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (CID 11845482) is 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)sc2c1O.
What is the InChIKey of 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is DVXFZJOVQSKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O4S/c23-13-5-1-11(2-6-13)17-15-9-25-18(22(30)26-10-16(27)28)19(29)21(15)31-20(17)12-3-7-14(24)8-4-12/h1-9,29H,10H2,(H,26,30)(H,27,28).
What are the key properties of 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 440.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-bis(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 11845482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).