4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one

C20H20F2N4O — CID 58505826

IUPAC4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one
SMILESCn1nc(C(=O)CCCN2CC(F)(F)C2)cc1-c1cnc2ccccc2c1
InChIInChI=1S/C20H20F2N4O/c1-25-18(15-9-14-5-2-3-6-16(14)23-11-15)10-17(24-25)19(27)7-4-8-26-12-20(21,22)13-26/h2-3,5-6,9-11H,4,7-8,12-13H2,1H3
InChIKeyLTFVOUSDAKLOOF-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.55
Rot. Bonds6

About 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one

4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one (PubChem CID 58505826) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one
PubChem CID58505826
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one
SMILESCn1nc(C(=O)CCCN2CC(F)(F)C2)cc1-c1cnc2ccccc2c1
InChIInChI=1S/C20H20F2N4O/c1-25-18(15-9-14-5-2-3-6-16(14)23-11-15)10-17(24-25)19(27)7-4-8-26-12-20(21,22)13-26/h2-3,5-6,9-11H,4,7-8,12-13H2,1H3
InChIKeyLTFVOUSDAKLOOF-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one 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

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
1-Pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
CID 46873747
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
Wgy5L2V9GM
CID 89545222
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
azetidin-1-yl(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)methanone
CID 118660778
N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylquinoline-4-carbohydrazide
CID 6866334
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 123400501

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one (CID 58505826) is 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one is Cn1nc(C(=O)CCCN2CC(F)(F)C2)cc1-c1cnc2ccccc2c1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one?
The InChIKey is LTFVOUSDAKLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-25-18(15-9-14-5-2-3-6-16(14)23-11-15)10-17(24-25)19(27)7-4-8-26-12-20(21,22)13-26/h2-3,5-6,9-11H,4,7-8,12-13H2,1H3.
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one?
4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one has a molecular weight of 370.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 58505826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).