[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone

C22H23FN6O2 — CID 86305263

IUPAC[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2CC3CCC2CC3COc2ncc(F)cn2)n1
InChIInChI=1S/C22H23FN6O2/c1-14-3-6-19(29-8-2-7-26-29)20(27-14)21(30)28-12-15-4-5-18(28)9-16(15)13-31-22-24-10-17(23)11-25-22/h2-3,6-8,10-11,15-16,18H,4-5,9,12-13H2,1H3
InChIKeySPSSTVCFOBNZOB-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.82
Rot. Bonds5

About [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone

[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 86305263) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID86305263
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2CC3CCC2CC3COc2ncc(F)cn2)n1
InChIInChI=1S/C22H23FN6O2/c1-14-3-6-19(29-8-2-7-26-29)20(27-14)21(30)28-12-15-4-5-18(28)9-16(15)13-31-22-24-10-17(23)11-25-22/h2-3,6-8,10-11,15-16,18H,4-5,9,12-13H2,1H3
InChIKeySPSSTVCFOBNZOB-UHFFFAOYSA-N
XLogP2.82
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 86305512
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[5-(pyridazin-3-yloxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305853
[5-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 86305752
[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305710
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone
CID 90412468
(3-fluoro-2-pyrimidin-2-ylphenyl)-[5-(pyridin-2-yloxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305852
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 144913712
(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-(7-quinoxalin-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 89488108
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyrimidin-4-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412989
[2-[(2-methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 90412154
(6-methyl-3-piperazin-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412011

Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone (CID 86305263) is [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone is Cc1ccc(-n2cccn2)c(C(=O)N2CC3CCC2CC3COc2ncc(F)cn2)n1.
What is the InChIKey of [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is SPSSTVCFOBNZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14-3-6-19(29-8-2-7-26-29)20(27-14)21(30)28-12-15-4-5-18(28)9-16(15)13-31-22-24-10-17(23)11-25-22/h2-3,6-8,10-11,15-16,18H,4-5,9,12-13H2,1H3.
What are the key properties of [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone?
[5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 422.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoropyrimidin-2-yl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 86305263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).