6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine

C19H18FN5O — CID 23158258

IUPAC6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine
SMILESCOCCc1cn2cc(-c3nnn(-c4ccccc4F)c3C)ccc2n1
InChIInChI=1S/C19H18FN5O/c1-13-19(22-23-25(13)17-6-4-3-5-16(17)20)14-7-8-18-21-15(9-10-26-2)12-24(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFITMJCSPMJGNHZ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.22
Rot. Bonds5

About 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine

6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine (PubChem CID 23158258) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine
PubChem CID23158258
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine
SMILESCOCCc1cn2cc(-c3nnn(-c4ccccc4F)c3C)ccc2n1
InChIInChI=1S/C19H18FN5O/c1-13-19(22-23-25(13)17-6-4-3-5-16(17)20)14-7-8-18-21-15(9-10-26-2)12-24(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFITMJCSPMJGNHZ-UHFFFAOYSA-N
XLogP3.22
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Adipiplon
CID 11198924
Fazadinium Bromide
CID 6321422
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 30
CID 118278101
3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278175
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 7
CID 118278206
US10399985, Example 17
CID 118278237

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine (CID 23158258) is 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine is COCCc1cn2cc(-c3nnn(-c4ccccc4F)c3C)ccc2n1.
What is the InChIKey of 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine?
The InChIKey is FITMJCSPMJGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-13-19(22-23-25(13)17-6-4-3-5-16(17)20)14-7-8-18-21-15(9-10-26-2)12-24(18)11-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine?
6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine has a molecular weight of 351.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methoxyethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 23158258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).