8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one

C25H19F2N7O2 — CID 71510986

IUPAC8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ncnc(N)c4N)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19F2N7O2/c1-13-10-14-8-9-30-23(20(14)25(35)34(13)17-5-2-15(26)3-6-17)33-16-4-7-19(18(27)11-16)36-24-21(28)22(29)31-12-32-24/h2-12H,28H2,1H3,(H,30,33)(H2,29,31,32)
InChIKeyLRXASCKVFNOCCP-UHFFFAOYSA-N
MW487.47 g/mol
LogP4.46
Rot. Bonds5

About 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one

8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (PubChem CID 71510986) has the molecular formula C25H19F2N7O2 and a molecular weight of 487.47 g/mol. Its IUPAC name is 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
PubChem CID71510986
Molecular FormulaC25H19F2N7O2
Molecular Weight487.47 g/mol
Exact Mass487.16
IUPAC Name8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ncnc(N)c4N)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19F2N7O2/c1-13-10-14-8-9-30-23(20(14)25(35)34(13)17-5-2-15(26)3-6-17)33-16-4-7-19(18(27)11-16)36-24-21(28)22(29)31-12-32-24/h2-12H,28H2,1H3,(H,30,33)(H2,29,31,32)
InChIKeyLRXASCKVFNOCCP-UHFFFAOYSA-N
XLogP4.46
TPSA133.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

8-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-(trifluoromethyl)-2,7-naphthyridin-1-one
CID 71511130
ethane;8-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxyanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one;molecular hydrogen
CID 144548544
4-bromo-8-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
CID 123730442
3-chloro-4-[4-[[6-[(dimethylamino)methyl]-7-(4-fluorophenyl)-8-oxo-2,7-naphthyridin-1-yl]amino]-2-fluorophenoxy]pyridine-2-carboxamide
CID 123197933
tert-butyl 4-[2-cyano-4-[2-fluoro-4-[[7-(4-fluorophenyl)-6-methyl-8-oxo-2,7-naphthyridin-1-yl]amino]phenoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 89434328
8-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
CID 71510708
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
8-[4-[(2-amino-3-methyl-4-pyridinyl)oxy]-3-fluoroanilino]-7-ethyl-2-(4-fluorophenyl)isoquinolin-1-one
CID 123190676
3-chloro-4-[2-fluoro-4-[[7-[(4-fluorophenyl)methyl]-8-oxo-2,7-naphthyridin-1-yl]amino]phenoxy]pyridine-2-carboxamide
CID 89434317
5-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-3-(4-fluorophenyl)-2-methyl-1H-1,6-naphthyridin-4-one
CID 162670001
N-[4-[(2-amino-3-cyano-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150268
5-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621792

Frequently Asked Questions

What is the IUPAC name of 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (CID 71510986) is 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one is Cc1cc2ccnc(Nc3ccc(Oc4ncnc(N)c4N)c(F)c3)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The InChIKey is LRXASCKVFNOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7O2/c1-13-10-14-8-9-30-23(20(14)25(35)34(13)17-5-2-15(26)3-6-17)33-16-4-7-19(18(27)11-16)36-24-21(28)22(29)31-12-32-24/h2-12H,28H2,1H3,(H,30,33)(H2,29,31,32).
What are the key properties of 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one has a molecular weight of 487.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5,6-diaminopyrimidin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 71510986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).