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

C19H21FN4O3 — CID 142619952

IUPAC7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOC1CCN(c2cc(N3CCc4cc(C(=O)O)ncc4C3)cc(F)n2)C1
InChIInChI=1S/C19H21FN4O3/c1-27-15-3-5-24(11-15)18-8-14(7-17(20)22-18)23-4-2-12-6-16(19(25)26)21-9-13(12)10-23/h6-9,15H,2-5,10-11H2,1H3,(H,25,26)
InChIKeyOJYKUDUGAFHCTH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.10
Rot. Bonds4

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

7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 142619952) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID142619952
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCOC1CCN(c2cc(N3CCc4cc(C(=O)O)ncc4C3)cc(F)n2)C1
InChIInChI=1S/C19H21FN4O3/c1-27-15-3-5-24(11-15)18-8-14(7-17(20)22-18)23-4-2-12-6-16(19(25)26)21-9-13(12)10-23/h6-9,15H,2-5,10-11H2,1H3,(H,25,26)
InChIKeyOJYKUDUGAFHCTH-UHFFFAOYSA-N
XLogP2.10
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.10
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-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139321031
ethyl 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619939
7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320854
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
7-(2-fluoro-3-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320924
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 139320885
3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
CID 175702696
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619982
5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 150204771
2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
CID 103530467

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 142619952) is 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is COC1CCN(c2cc(N3CCc4cc(C(=O)O)ncc4C3)cc(F)n2)C1.
What is the InChIKey of 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is OJYKUDUGAFHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-27-15-3-5-24(11-15)18-8-14(7-17(20)22-18)23-4-2-12-6-16(19(25)26)21-9-13(12)10-23/h6-9,15H,2-5,10-11H2,1H3,(H,25,26).
What are the key properties of 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142619952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).