2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid

C24H19FN4O5S — CID 51040740

IUPAC2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1
InChIInChI=1S/C24H19FN4O5S/c1-13-2-7-16(25)17(10-13)29-24(33)28-14-3-5-15(6-4-14)34-19-8-9-26-18-11-20(35-22(18)19)23(32)27-12-21(30)31/h2-11H,12H2,1H3,(H,27,32)(H,30,31)(H2,28,29,33)
InChIKeyAFOWYQYHGSJRFD-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.99
Rot. Bonds7

About 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid

2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 51040740) has the molecular formula C24H19FN4O5S and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
PubChem CID51040740
Molecular FormulaC24H19FN4O5S
Molecular Weight494.50 g/mol
Exact Mass494.11
IUPAC Name2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1
InChIInChI=1S/C24H19FN4O5S/c1-13-2-7-16(25)17(10-13)29-24(33)28-14-3-5-15(6-4-14)34-19-8-9-26-18-11-20(35-22(18)19)23(32)27-12-21(30)31/h2-11H,12H2,1H3,(H,27,32)(H,30,31)(H2,28,29,33)
InChIKeyAFOWYQYHGSJRFD-UHFFFAOYSA-N
XLogP4.99
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid (CID 51040740) is 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid is Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCC(=O)O)sc34)cc2)c1.
What is the InChIKey of 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is AFOWYQYHGSJRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5S/c1-13-2-7-16(25)17(10-13)29-24(33)28-14-3-5-15(6-4-14)34-19-8-9-26-18-11-20(35-22(18)19)23(32)27-12-21(30)31/h2-11H,12H2,1H3,(H,27,32)(H,30,31)(H2,28,29,33).
What are the key properties of 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid?
2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 494.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 51040740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).