2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid

C19H14FN3O3S — CID 18456641

IUPAC2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)O)cc3F)c2s1
InChIInChI=1S/C19H14FN3O3S/c1-23-7-6-22-19(23)16-10-13-18(27-16)15(4-5-21-13)26-14-3-2-11(8-12(14)20)9-17(24)25/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyWRTOOCNLEVVANJ-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.26
Rot. Bonds5

About 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid

2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid (PubChem CID 18456641) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid
PubChem CID18456641
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)O)cc3F)c2s1
InChIInChI=1S/C19H14FN3O3S/c1-23-7-6-22-19(23)16-10-13-18(27-16)15(4-5-21-13)26-14-3-2-11(8-12(14)20)9-17(24)25/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyWRTOOCNLEVVANJ-UHFFFAOYSA-N
XLogP4.26
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901704
3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11713310
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901705
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901706
N1-(4-(2-(1-ethyl-1H-imidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-(2-(trifluoromethyl)phenyl)malonamide
CID 16043068
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamoyl)-2-phenylacetamide
CID 44565118
5-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxylic acid
CID 76310926
5-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxylic acid
CID 76310927
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-2-carboxylic acid
CID 76325465
2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide
CID 56661467
3-[4-[2-[1,3-Benzothiazol-2-yl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]propanoic acid
CID 44440926
4-[[2-(4-Methoxyphenyl)ethyl-([1,3]thiazolo[4,5-c]pyridin-2-yl)amino]methyl]benzoic acid
CID 164613471

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid (CID 18456641) is 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid is Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)O)cc3F)c2s1.
What is the InChIKey of 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid?
The InChIKey is WRTOOCNLEVVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-23-7-6-22-19(23)16-10-13-18(27-16)15(4-5-21-13)26-14-3-2-11(8-12(14)20)9-17(24)25/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid?
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid has a molecular weight of 383.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 18456641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).