5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

C20H19F3N4O2 — CID 56576802

IUPAC5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N4O2/c1-11-15(12(2)27-17(24-11)10-18(28)25-27)9-19(29)26-7-3-4-13-8-14(20(21,22)23)5-6-16(13)26/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,25,28)
InChIKeySFALZSYBCQQEFB-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.18
Rot. Bonds2

About 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 56576802) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID56576802
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H19F3N4O2/c1-11-15(12(2)27-17(24-11)10-18(28)25-27)9-19(29)26-7-3-4-13-8-14(20(21,22)23)5-6-16(13)26/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,25,28)
InChIKeySFALZSYBCQQEFB-UHFFFAOYSA-N
XLogP3.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one with MolForge

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 31843878
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 46588645
6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 166321331
5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 95282086
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840743
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
5-bromo-1-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]pyridin-2-one
CID 55639789
(5-methylimidazo[1,2-a]pyridin-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55582024
2-phenyl-1-[7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 59344774
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 146082584

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 56576802) is 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is SFALZSYBCQQEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11-15(12(2)27-17(24-11)10-18(28)25-27)9-19(29)26-7-3-4-13-8-14(20(21,22)23)5-6-16(13)26/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,25,28).
What are the key properties of 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 404.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 56576802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).