2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine

C17H16FN3S — CID 117166710

IUPAC2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3cccnc3n2C2CCCCS2)c1
InChIInChI=1S/C17H16FN3S/c18-13-6-3-5-12(11-13)16-20-14-7-4-9-19-17(14)21(16)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2
InChIKeyCLCOWNVJKFZAKP-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.65
Rot. Bonds2

About 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine

2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117166710) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
PubChem CID117166710
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3cccnc3n2C2CCCCS2)c1
InChIInChI=1S/C17H16FN3S/c18-13-6-3-5-12(11-13)16-20-14-7-4-9-19-17(14)21(16)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2
InChIKeyCLCOWNVJKFZAKP-UHFFFAOYSA-N
XLogP4.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729
2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117164957
3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117163055
2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117160752
2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
CID 118723086
3-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]imidazo[4,5-b]pyridine
CID 71473013
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117163675
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166658
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine (CID 117166710) is 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine is Fc1cccc(-c2nc3cccnc3n2C2CCCCS2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is CLCOWNVJKFZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-13-6-3-5-12(11-13)16-20-14-7-4-9-19-17(14)21(16)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2.
What are the key properties of 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine?
2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).