7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C18H19FN4O3 — CID 139321031

IUPAC7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(F)nc(N3CCc4cc(C(=O)O)ncc4C3)c2)C1
InChIInChI=1S/C18H19FN4O3/c1-26-14-9-23(10-14)13-5-16(19)21-17(6-13)22-3-2-11-4-15(18(24)25)20-7-12(11)8-22/h4-7,14H,2-3,8-10H2,1H3,(H,24,25)
InChIKeyWHLKFZUKHOIBQR-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.71
Rot. Bonds4

About 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139321031) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139321031
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(F)nc(N3CCc4cc(C(=O)O)ncc4C3)c2)C1
InChIInChI=1S/C18H19FN4O3/c1-26-14-9-23(10-14)13-5-16(19)21-17(6-13)22-3-2-11-4-15(18(24)25)20-7-12(11)8-22/h4-7,14H,2-3,8-10H2,1H3,(H,24,25)
InChIKeyWHLKFZUKHOIBQR-UHFFFAOYSA-N
XLogP1.71
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 142619952
ethyl 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619939
7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320916
7-(3,4-difluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320887
7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320854
7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320924
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 139320885
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619982
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 150204771
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574

Frequently Asked Questions

What is the IUPAC name of 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139321031) is 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is COC1CN(c2cc(F)nc(N3CCc4cc(C(=O)O)ncc4C3)c2)C1.
What is the InChIKey of 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is WHLKFZUKHOIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-26-14-9-23(10-14)13-5-16(19)21-17(6-13)22-3-2-11-4-15(18(24)25)20-7-12(11)8-22/h4-7,14H,2-3,8-10H2,1H3,(H,24,25).
What are the key properties of 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139321031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).