5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one

C23H30F2N2O2 — CID 146228198

IUPAC5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2c2cc(C(C)(C)C)cn(C(F)F)c2=O)c1
InChIInChI=1S/C23H30F2N2O2/c1-22(2,3)15-7-8-19(28)26(12-15)11-14-9-17(14)18-10-16(23(4,5)6)13-27(20(18)29)21(24)25/h7-8,10,12-14,17,21H,9,11H2,1-6H3
InChIKeyQSUGLYKMICXJJD-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.80
Rot. Bonds4

About 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one

5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one (PubChem CID 146228198) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one
PubChem CID146228198
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC Name5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2c2cc(C(C)(C)C)cn(C(F)F)c2=O)c1
InChIInChI=1S/C23H30F2N2O2/c1-22(2,3)15-7-8-19(28)26(12-15)11-14-9-17(14)18-10-16(23(4,5)6)13-27(20(18)29)21(24)25/h7-8,10,12-14,17,21H,9,11H2,1-6H3
InChIKeyQSUGLYKMICXJJD-UHFFFAOYSA-N
XLogP4.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
CID 154966362
5-Tert-butyl-1-(difluoromethyl)-3-[2-[[5-(2-methylpentan-2-yl)-2-oxo-1-pyridinyl]methyl]cyclopropyl]pyridin-2-one
CID 155369948
5-Tert-butyl-1-(difluoromethyl)-3-[2-[(2-oxo-5-propan-2-yl-1-pyridinyl)methyl]cyclopropyl]pyridin-2-one
CID 156124260
3-Tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
CID 164559343
3-Ethyl-4,6-dimethyl-1-[3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]butyl]pyridin-2-one
CID 167006043
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
1-[[1-methyl-2-(2-oxo-1H-pyridin-3-yl)cyclopropyl]methyl]pyridin-2-one
CID 53817250
3-[1-[2-(4-Tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
CID 135127287
3-[6-(3-Tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one
CID 146282662
3-[4-(3-Tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one
CID 146512701
3-[5-(3-Tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-methylpyridin-2-one
CID 169608334
1-Methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one
CID 137338502

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one (CID 146228198) is 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one is CC(C)(C)c1ccc(=O)n(CC2CC2c2cc(C(C)(C)C)cn(C(F)F)c2=O)c1.
What is the InChIKey of 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one?
The InChIKey is QSUGLYKMICXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c1-22(2,3)15-7-8-19(28)26(12-15)11-14-9-17(14)18-10-16(23(4,5)6)13-27(20(18)29)21(24)25/h7-8,10,12-14,17,21H,9,11H2,1-6H3.
What are the key properties of 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one?
5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one has a molecular weight of 404.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 146228198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).