[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone

C23H25FN4O2 — CID 25126519

IUPAC[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCc1ccc(-c2cn[nH]c2)c(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c1
InChIInChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)
InChIKeyHZMUAGSAWQJPQK-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.24
Rot. Bonds5

About [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 25126519) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID25126519
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCc1ccc(-c2cn[nH]c2)c(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c1
InChIInChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)
InChIKeyHZMUAGSAWQJPQK-UHFFFAOYSA-N
XLogP4.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone (CID 25126519) is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone is Cc1ccc(-c2cn[nH]c2)c(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c1.
What is the InChIKey of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is HZMUAGSAWQJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27).
What are the key properties of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone?
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 408.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 25126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).