[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone

C25H27FN4O2 — CID 46199464

IUPAC[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1
InChIInChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3
InChIKeyPVMCDLVEVSDOOK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.70
Rot. Bonds5

About [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone

[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 46199464) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
PubChem CID46199464
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1
InChIInChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3
InChIKeyPVMCDLVEVSDOOK-UHFFFAOYSA-N
XLogP4.70
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)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

Filorexant
CID 25128145
Dora-22
CID 25126515
Jnj-61393215
CID 139030979
N-[2-[6-fluoro-2-(2-methoxypyrimidin-5-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71456413
2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 90411960
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 90412585
(R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442558
[(2R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 134141417
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-phenylphenyl)methanone
CID 25125516
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
CID 25125859
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 59396033

Frequently Asked Questions

What is the IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone (CID 46199464) is [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1.
What is the InChIKey of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is PVMCDLVEVSDOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3.
What are the key properties of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone?
[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 434.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylazepan-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 46199464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).