6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C21H25FN4O2 — CID 121305398

IUPAC6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
InChIKeyFXUGSDDMMZNHRS-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.93
Rot. Bonds3

About 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 121305398) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID121305398
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
InChIKeyFXUGSDDMMZNHRS-UHFFFAOYSA-N
XLogP2.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 121305398) is 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)N1CCC(Cc2cn[nH]c2-c2ccc3c(c2F)CCC(=O)N3C)CC1.
What is the InChIKey of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is FXUGSDDMMZNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 384.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).