(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

C25H19ClF3N3O2 — CID 177192178

IUPAC(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESFc1ccc2c(c1)CC[C@@H](c1ccc(F)c(F)c1Cl)C2.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C16H12ClF3.C9H7N3O2/c17-15-13(5-6-14(19)16(15)20)11-2-1-10-8-12(18)4-3-9(10)7-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-6,8,11H,1-2,7H2;1-4H,(H2,10,14)(H,11,13)/t11-;/m1./s1
InChIKeyYYYVLCJWHHNLSJ-RFVHGSKJSA-N
MW485.89 g/mol
LogP5.05
Rot. Bonds2

About (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide

(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177192178) has the molecular formula C25H19ClF3N3O2 and a molecular weight of 485.89 g/mol. Its IUPAC name is (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177192178
Molecular FormulaC25H19ClF3N3O2
Molecular Weight485.89 g/mol
Exact Mass485.11
IUPAC Name(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESFc1ccc2c(c1)CC[C@@H](c1ccc(F)c(F)c1Cl)C2.NC(=O)c1nccc2[nH]ccc(=O)c12
InChIInChI=1S/C16H12ClF3.C9H7N3O2/c17-15-13(5-6-14(19)16(15)20)11-2-1-10-8-12(18)4-3-9(10)7-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-6,8,11H,1-2,7H2;1-4H,(H2,10,14)(H,11,13)/t11-;/m1./s1
InChIKeyYYYVLCJWHHNLSJ-RFVHGSKJSA-N
XLogP5.05
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2,3-difluorobenzene;2-[(2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192499
1-chloro-2,3-difluorobenzene;2-[(2S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192326
2-chloro-4-fluoro-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192635
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-4-fluorobenzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193213
4-fluoro-2-methoxy-1-(3-methylcyclohexyl)benzene;4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193205
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
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
1-chloro-2,3-difluorobenzene;2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177193228
2-(3,4-difluoro-2-methoxyphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 177193037
2-[(1S,2S,4R)-2-(3-chloro-4-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178085538
2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;2,3-difluorophenol
CID 177193245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177192178) is (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is Fc1ccc2c(c1)CC[C@@H](c1ccc(F)c(F)c1Cl)C2.NC(=O)c1nccc2[nH]ccc(=O)c12.
What is the InChIKey of (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is YYYVLCJWHHNLSJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H12ClF3.C9H7N3O2/c17-15-13(5-6-14(19)16(15)20)11-2-1-10-8-12(18)4-3-9(10)7-11;10-9(14)8-7-5(1-3-12-8)11-4-2-6(7)13/h3-6,8,11H,1-2,7H2;1-4H,(H2,10,14)(H,11,13)/t11-;/m1./s1.
What are the key properties of (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide?
(2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 485.89 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-3,4-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene;4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177192178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).