8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one

C25H24FN5O3 — CID 58093896

IUPAC8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)n1
InChIInChI=1S/C25H24FN5O3/c1-15-14-31(10-11-34-15)21-7-6-17(13-18(21)26)28-24-23-16(8-9-27-25(23)32)12-20(30-24)19-4-3-5-22(29-19)33-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,32)(H,28,30)/t15-/m1/s1
InChIKeyFCYDZQUYADUEFS-OAHLLOKOSA-N
MW461.50 g/mol
LogP4.10
Rot. Bonds5

About 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one

8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093896) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
PubChem CID58093896
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)n1
InChIInChI=1S/C25H24FN5O3/c1-15-14-31(10-11-34-15)21-7-6-17(13-18(21)26)28-24-23-16(8-9-27-25(23)32)12-20(30-24)19-4-3-5-22(29-19)33-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,32)(H,28,30)/t15-/m1/s1
InChIKeyFCYDZQUYADUEFS-OAHLLOKOSA-N
XLogP4.10
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one (CID 58093896) is 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one is COc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)n1.
What is the InChIKey of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is FCYDZQUYADUEFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-15-14-31(10-11-34-15)21-7-6-17(13-18(21)26)28-24-23-16(8-9-27-25(23)32)12-20(30-24)19-4-3-5-22(29-19)33-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,32)(H,28,30)/t15-/m1/s1.
What are the key properties of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one?
8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 461.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(6-methoxy-2-pyridinyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).