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

C16H16FN3O — CID 117164895

IUPAC2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(Cc2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C16H16FN3O/c1-21-9-8-20-15(11-12-4-2-5-13(17)10-12)19-14-6-3-7-18-16(14)20/h2-7,10H,8-9,11H2,1H3
InChIKeyICKSUQSULBWGNY-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.81
Rot. Bonds5

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

2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 117164895) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
PubChem CID117164895
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(Cc2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C16H16FN3O/c1-21-9-8-20-15(11-12-4-2-5-13(17)10-12)19-14-6-3-7-18-16(14)20/h2-7,10H,8-9,11H2,1H3
InChIKeyICKSUQSULBWGNY-UHFFFAOYSA-N
XLogP2.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117165008
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 53022337
3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165060
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117165163
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53013036

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine (CID 117164895) is 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine is COCCn1c(Cc2cccc(F)c2)nc2cccnc21.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is ICKSUQSULBWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-21-9-8-20-15(11-12-4-2-5-13(17)10-12)19-14-6-3-7-18-16(14)20/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine?
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 285.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).