3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline

C16H11FN4OS — CID 141307816

IUPAC3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)c(F)c1
InChIInChI=1S/C16H11FN4OS/c17-11-7-10(18)1-2-12(11)22-13-3-5-19-16-14(13)20-15(21-16)9-4-6-23-8-9/h1-8H,18H2,(H,19,20,21)
InChIKeyJLKPSCXBZKGYAP-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.20
Rot. Bonds3

About 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline

3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline (PubChem CID 141307816) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline
PubChem CID141307816
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline
SMILESNc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)c(F)c1
InChIInChI=1S/C16H11FN4OS/c17-11-7-10(18)1-2-12(11)22-13-3-5-19-16-14(13)20-15(21-16)9-4-6-23-8-9/h1-8H,18H2,(H,19,20,21)
InChIKeyJLKPSCXBZKGYAP-UHFFFAOYSA-N
XLogP4.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
1-[2-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900113
N-benzyl-6-methoxy-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137653334
2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 155540446
2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 155548368
US9096589, 8-Methoxy-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250190
US9096589, 8-Methoxy-5-methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250349
N,2-dimethyl-N-(thiophen-2-ylmethyl)-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-3-amine
CID 49790895
6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
CID 14762725
2-Methyl-8-(thiophen-2-ylmethoxy)imidazo[1,2-a]pyridin-3-amine
CID 13900289
2-Methyl-8-(thiophen-3-ylmethoxy)imidazo[1,2-a]pyridin-3-amine
CID 13900290
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-thiophen-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
CID 136265545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline?
The IUPAC name of 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline (CID 141307816) is 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline?
The canonical SMILES for 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline is Nc1ccc(Oc2ccnc3nc(-c4ccsc4)[nH]c23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline?
The InChIKey is JLKPSCXBZKGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c17-11-7-10(18)1-2-12(11)22-13-3-5-19-16-14(13)20-15(21-16)9-4-6-23-8-9/h1-8H,18H2,(H,19,20,21).
What are the key properties of 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline?
3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline has a molecular weight of 326.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]aniline is sourced from PubChem (CID 141307816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).