5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C18H20FN5O2 — CID 74237621

IUPAC5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCc3nc(-c4cccc(F)c4)[nH]c3C2)n1
InChIInChI=1S/C18H20FN5O2/c1-25-8-6-16-22-17(26-23-16)11-24-7-5-14-15(10-24)21-18(20-14)12-3-2-4-13(19)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyKJPXWZWLRMZSBK-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.35
Rot. Bonds6

About 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 74237621) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID74237621
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCc3nc(-c4cccc(F)c4)[nH]c3C2)n1
InChIInChI=1S/C18H20FN5O2/c1-25-8-6-16-22-17(26-23-16)11-24-7-5-14-15(10-24)21-18(20-14)12-3-2-4-13(19)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyKJPXWZWLRMZSBK-UHFFFAOYSA-N
XLogP2.35
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 74237621) is 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(CN2CCc3nc(-c4cccc(F)c4)[nH]c3C2)n1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is KJPXWZWLRMZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-25-8-6-16-22-17(26-23-16)11-24-7-5-14-15(10-24)21-18(20-14)12-3-2-4-13(19)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 357.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 74237621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).