2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

C24H24F3N3O2 — CID 177193213

IUPAC2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESFc1ccc(C2CCC(F)(F)CC2)c(C2CC2)c1.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C15H17F3.C9H7N3O2/c16-12-3-4-13(14(9-12)10-1-2-10)11-5-7-15(17,18)8-6-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,9-11H,1-2,5-8H2;1-4H,(H2,10,14)(H,11,13)
InChIKeyMXLKFZFPDJSBOX-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.02
Rot. Bonds3

About 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177193213) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177193213
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESFc1ccc(C2CCC(F)(F)CC2)c(C2CC2)c1.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C15H17F3.C9H7N3O2/c16-12-3-4-13(14(9-12)10-1-2-10)11-5-7-15(17,18)8-6-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,9-11H,1-2,5-8H2;1-4H,(H2,10,14)(H,11,13)
InChIKeyMXLKFZFPDJSBOX-UHFFFAOYSA-N
XLogP5.02
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192635
4-[(3S)-3-(difluoromethyl)cyclohexyl]-1,1-difluorocyclohexane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021555
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193205
(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192178
5-(4,4-difluorocyclohexyl)-2-methyl-3-oxabicyclo[3.1.1]hept-1-ene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021068
3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193345
(3aR,6aS)-3-(3-chloro-4-fluoro-2-methylphenyl)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-pentalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085724
3-(4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl)-2-methoxy-6-methylpyridine;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085628
2-[(1R)-2-(4,4-difluorocyclohexyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021093
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192684
2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249780
2-[4-(4,4-difluorocyclohexyl)-3-bicyclo[4.1.0]heptanyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021669

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177193213) is 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is Fc1ccc(C2CCC(F)(F)CC2)c(C2CC2)c1.NC(=O)c1nccc2[nH]ccc(=O)c12.
What is the InChIKey of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is MXLKFZFPDJSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3.C9H7N3O2/c16-12-3-4-13(14(9-12)10-1-2-10)11-5-7-15(17,18)8-6-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-4,9-11H,1-2,5-8H2;1-4H,(H2,10,14)(H,11,13).
What are the key properties of 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177193213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).