4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid

C22H16FN3O4S — CID 141166245

IUPAC4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2scc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)c12
InChIInChI=1S/C22H16FN3O4S/c23-14-6-4-12(5-7-14)21(27)26-15-2-1-3-16(8-15)30-10-13-11-31-19-17(22(28)29)9-25-20(24)18(13)19/h1-9,11H,10H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyMGXNPTVBXMVTOA-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.55
Rot. Bonds6

About 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid

4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (PubChem CID 141166245) has the molecular formula C22H16FN3O4S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
PubChem CID141166245
Molecular FormulaC22H16FN3O4S
Molecular Weight437.45 g/mol
Exact Mass437.08
IUPAC Name4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2scc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)c12
InChIInChI=1S/C22H16FN3O4S/c23-14-6-4-12(5-7-14)21(27)26-15-2-1-3-16(8-15)30-10-13-11-31-19-17(22(28)29)9-25-20(24)18(13)19/h1-9,11H,10H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyMGXNPTVBXMVTOA-UHFFFAOYSA-N
XLogP4.55
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid with MolForge

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Related Compounds

4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
CID 58832880
[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
CID 126662764
ethyl 4-amino-3-[(3-phenoxyphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 162100170
4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 58832989
4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
CID 161008574
ethyl 4-chloro-3-[[3-[(2,4-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832967
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
ethyl 4-amino-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160618390
ethyl 4-amino-3-[(3-benzylsulfanylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160746367
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662805
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (CID 141166245) is 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is Nc1ncc(C(=O)O)c2scc(COc3cccc(NC(=O)c4ccc(F)cc4)c3)c12.
What is the InChIKey of 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is MGXNPTVBXMVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c23-14-6-4-12(5-7-14)21(27)26-15-2-1-3-16(8-15)30-10-13-11-31-19-17(22(28)29)9-25-20(24)18(13)19/h1-9,11H,10H2,(H2,24,25)(H,26,27)(H,28,29).
What are the key properties of 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 437.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 141166245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).