6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C21H25FN4O2 — CID 121305424

IUPAC6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2cc3c(cc2F)N(C)C(=O)CC3)CC1
InChIInChI=1S/C21H25FN4O2/c1-13(27)26-7-5-14(6-8-26)9-16-12-23-24-21(16)17-10-15-3-4-20(28)25(2)19(15)11-18(17)22/h10-12,14H,3-9H2,1-2H3,(H,23,24)
InChIKeyQXVSFWNQXROXNL-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.93
Rot. Bonds3

About 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 121305424) 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]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID121305424
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCC(Cc2cn[nH]c2-c2cc3c(cc2F)N(C)C(=O)CC3)CC1
InChIInChI=1S/C21H25FN4O2/c1-13(27)26-7-5-14(6-8-26)9-16-12-23-24-21(16)17-10-15-3-4-20(28)25(2)19(15)11-18(17)22/h10-12,14H,3-9H2,1-2H3,(H,23,24)
InChIKeyQXVSFWNQXROXNL-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

Analyze 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305407
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305412
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305425
6-[4-[(1-ethylsulfonylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305447
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 130303913
5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-yl]-3,4-dihydroquinolin-2-one
CID 139208789
(3-(1H-pyrazol-3-yl)phenyl)(4-((2-methylquinolin-6-yl)methyl)piperidin-1-yl)methanone
CID 46885201
1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 162644837
N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162671709
6-[4-[(2-Acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-3-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305449

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 121305424) is 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-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]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CC(=O)N1CCC(Cc2cn[nH]c2-c2cc3c(cc2F)N(C)C(=O)CC3)CC1.
What is the InChIKey of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QXVSFWNQXROXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(27)26-7-5-14(6-8-26)9-16-12-23-24-21(16)17-10-15-3-4-20(28)25(2)19(15)11-18(17)22/h10-12,14H,3-9H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-[(1-acetylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-7-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]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).