3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H21F4N3O3 — CID 177193345

IUPAC3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1c(C2CCC3C(C2)C3(F)F)ccc(F)c1F.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C14H14F4O.C9H7N3O2/c1-19-13-8(3-5-11(15)12(13)16)7-2-4-9-10(6-7)14(9,17)18;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3,5,7,9-10H,2,4,6H2,1H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyWZYCTLVODJMCEE-UHFFFAOYSA-N
MW463.43 g/mol
LogP4.14
Rot. Bonds3

About 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide

3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177193345) has the molecular formula C23H21F4N3O3 and a molecular weight of 463.43 g/mol. Its IUPAC name is 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177193345
Molecular FormulaC23H21F4N3O3
Molecular Weight463.43 g/mol
Exact Mass463.15
IUPAC Name3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCOc1c(C2CCC3C(C2)C3(F)F)ccc(F)c1F.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C14H14F4O.C9H7N3O2/c1-19-13-8(3-5-11(15)12(13)16)7-2-4-9-10(6-7)14(9,17)18;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3,5,7,9-10H,2,4,6H2,1H3;1-4H,(H2,10,14)(H,11,13)
InChIKeyWZYCTLVODJMCEE-UHFFFAOYSA-N
XLogP4.14
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-3,4-difluoro-2-methoxybenzene;2-cyclopentyl-1H-1,6-naphthyridin-4-one;1,2-difluoro-3-methoxy-4-methylbenzene;ethane;2-methylpropane;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192630
2-[(5S)-2-(3,4-difluoro-2-methoxyphenyl)-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193271
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193205
2-[2-(3,4-difluoro-2-methoxyphenyl)-4,4-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085714
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193213
2-[(1R,2R,4R)-4-tert-butyl-2-(3,4-difluoro-2-methoxyphenyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085430
(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,2R,5R)-2-(3,4-difluoro-2-methoxyphenyl)-5-methyl-5-(trifluoromethyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085739
2-chloro-4-fluoro-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192635
2-[(3S,4R)-2-(3,4-difluoro-2-methoxyphenyl)-3,4-dimethyl-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085569
(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192178

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177193345) is 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide is COc1c(C2CCC3C(C2)C3(F)F)ccc(F)c1F.NC(=O)c1nccc2[nH]ccc(=O)c12.
What is the InChIKey of 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is WZYCTLVODJMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O.C9H7N3O2/c1-19-13-8(3-5-11(15)12(13)16)7-2-4-9-10(6-7)14(9,17)18;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3,5,7,9-10H,2,4,6H2,1H3;1-4H,(H2,10,14)(H,11,13).
What are the key properties of 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 463.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-2-methoxyphenyl)-7,7-difluorobicyclo[4.1.0]heptane;4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177193345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).