8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one

C23H21FN6O3 — CID 66888600

IUPAC8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1
InChIInChI=1S/C23H21FN6O3/c1-32-23-26-12-15(13-27-23)18-10-14-4-5-25-22(31)20(14)21(29-18)28-16-2-3-19(17(24)11-16)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,25,31)(H,28,29)
InChIKeyWMLDIWHKEGGORU-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.11
Rot. Bonds5

About 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 66888600) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
PubChem CID66888600
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1
InChIInChI=1S/C23H21FN6O3/c1-32-23-26-12-15(13-27-23)18-10-14-4-5-25-22(31)20(14)21(29-18)28-16-2-3-19(17(24)11-16)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,25,31)(H,28,29)
InChIKeyWMLDIWHKEGGORU-UHFFFAOYSA-N
XLogP3.11
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58093885
8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
CID 66888729
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841234
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66888514
6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841156
6-(2-ethoxypyrimidin-5-yl)-8-[3-methyl-4-[(2S)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58094492
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
6-(2-methoxypyrimidin-5-yl)-8-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094475
6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094165
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one (CID 66888600) is 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one is COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(F)c3)n2)cn1.
What is the InChIKey of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is WMLDIWHKEGGORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-32-23-26-12-15(13-27-23)18-10-14-4-5-25-22(31)20(14)21(29-18)28-16-2-3-19(17(24)11-16)30-6-8-33-9-7-30/h2-5,10-13H,6-9H2,1H3,(H,25,31)(H,28,29).
What are the key properties of 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 448.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).