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

C17H16FN3S — CID 117162519

IUPAC3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C17H16FN3S/c18-13-6-2-1-5-12(13)11-21-16-14(7-3-9-19-16)20-17(21)15-8-4-10-22-15/h1-3,5-7,9,15H,4,8,10-11H2
InChIKeyKGRKBPNJNGKPKQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.19
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162519) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162519
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESFc1ccccc1Cn1c(C2CCCS2)nc2cccnc21
InChIInChI=1S/C17H16FN3S/c18-13-6-2-1-5-12(13)11-21-16-14(7-3-9-19-16)20-17(21)15-8-4-10-22-15/h1-3,5-7,9,15H,4,8,10-11H2
InChIKeyKGRKBPNJNGKPKQ-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162519) is 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is Fc1ccccc1Cn1c(C2CCCS2)nc2cccnc21.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is KGRKBPNJNGKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-13-6-2-1-5-12(13)11-21-16-14(7-3-9-19-16)20-17(21)15-8-4-10-22-15/h1-3,5-7,9,15H,4,8,10-11H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).