2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine

C15H14FN3S — CID 124883411

IUPAC2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(S[C@H](C)c3cccc(F)c3)[nH]c12
InChIInChI=1S/C15H14FN3S/c1-9-6-7-17-14-13(9)18-15(19-14)20-10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,17,18,19)/t10-/m1/s1
InChIKeyFZOIFNMSPVJQQP-SNVBAGLBSA-N
MW287.36 g/mol
LogP4.26
Rot. Bonds3

About 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine

2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 124883411) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID124883411
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(S[C@H](C)c3cccc(F)c3)[nH]c12
InChIInChI=1S/C15H14FN3S/c1-9-6-7-17-14-13(9)18-15(19-14)20-10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,17,18,19)/t10-/m1/s1
InChIKeyFZOIFNMSPVJQQP-SNVBAGLBSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine (CID 124883411) is 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(S[C@H](C)c3cccc(F)c3)[nH]c12.
What is the InChIKey of 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FZOIFNMSPVJQQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-6-7-17-14-13(9)18-15(19-14)20-10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine?
2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 287.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-fluorophenyl)ethyl]sulfanyl-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 124883411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).