4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol

C17H12FN3S — CID 135702368

IUPAC4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol
SMILESCc1ccc2c(F)c(-c3nc4ccncc4[nH]3)c(S)cc2c1
InChIInChI=1S/C17H12FN3S/c1-9-2-3-11-10(6-9)7-14(22)15(16(11)18)17-20-12-4-5-19-8-13(12)21-17/h2-8,22H,1H3,(H,20,21)
InChIKeyADPUJCLETAPICJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.51
Rot. Bonds1

About 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol

4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol (PubChem CID 135702368) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol.

Molecular Properties

Compound Name4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol
PubChem CID135702368
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol
SMILESCc1ccc2c(F)c(-c3nc4ccncc4[nH]3)c(S)cc2c1
InChIInChI=1S/C17H12FN3S/c1-9-2-3-11-10(6-9)7-14(22)15(16(11)18)17-20-12-4-5-19-8-13(12)21-17/h2-8,22H,1H3,(H,20,21)
InChIKeyADPUJCLETAPICJ-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,6-trifluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 65100267
2-(2-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 81477423
2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 67896478
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
CID 67896665
2-(3-bromo-5-chlorophenyl)-3H-imidazo[4,5-c]pyridine
CID 107939473
2-(5-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridine
CID 63269092
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
CID 55169075
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137011269
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
CID 54590193
2-(4,5-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 156838859

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol?
The IUPAC name of 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol (CID 135702368) is 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol.
What is the SMILES notation for 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol?
The canonical SMILES for 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol is Cc1ccc2c(F)c(-c3nc4ccncc4[nH]3)c(S)cc2c1.
What is the InChIKey of 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol?
The InChIKey is ADPUJCLETAPICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c1-9-2-3-11-10(6-9)7-14(22)15(16(11)18)17-20-12-4-5-19-8-13(12)21-17/h2-8,22H,1H3,(H,20,21).
What are the key properties of 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol?
4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol has a molecular weight of 309.37 g/mol, XLogP of 4.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-7-methylnaphthalene-2-thiol is sourced from PubChem (CID 135702368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).