[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone

C22H22FN5O3 — CID 90412190

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C22H22FN5O3/c1-12-3-6-17(21-26-13(2)27-31-21)20(25-12)22(29)28-16-5-7-18(28)14(9-16)11-30-19-8-4-15(23)10-24-19/h3-4,6,8,10,14,16,18H,5,7,9,11H2,1-2H3
InChIKeyRBWYLXRJHFNJIQ-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.35
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone (PubChem CID 90412190) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone
PubChem CID90412190
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C22H22FN5O3/c1-12-3-6-17(21-26-13(2)27-31-21)20(25-12)22(29)28-16-5-7-18(28)14(9-16)11-30-19-8-4-15(23)10-24-19/h3-4,6,8,10,14,16,18H,5,7,9,11H2,1-2H3
InChIKeyRBWYLXRJHFNJIQ-UHFFFAOYSA-N
XLogP3.35
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone (CID 90412190) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone is Cc1ccc(-c2nc(C)no2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone?
The InChIKey is RBWYLXRJHFNJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-12-3-6-17(21-26-13(2)27-31-21)20(25-12)22(29)28-16-5-7-18(28)14(9-16)11-30-19-8-4-15(23)10-24-19/h3-4,6,8,10,14,16,18H,5,7,9,11H2,1-2H3.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone has a molecular weight of 423.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 90412190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).