2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C26H17F4N5O2 — CID 118393454

IUPAC2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c(nc1-c1ccccc1)CCNC2=O)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H17F4N5O2/c27-19-13-18(26(28,29)30)15(23-31-8-4-9-32-23)11-16(19)25(37)35-21-12-17-20(7-10-33-24(17)36)34-22(21)14-5-2-1-3-6-14/h1-6,8-9,11-13H,7,10H2,(H,33,36)(H,35,37)
InChIKeyGNXNTEXMNULGFJ-UHFFFAOYSA-N
MW507.45 g/mol
LogP4.90
Rot. Bonds4

About 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 118393454) has the molecular formula C26H17F4N5O2 and a molecular weight of 507.45 g/mol. Its IUPAC name is 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID118393454
Molecular FormulaC26H17F4N5O2
Molecular Weight507.45 g/mol
Exact Mass507.13
IUPAC Name2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c(nc1-c1ccccc1)CCNC2=O)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H17F4N5O2/c27-19-13-18(26(28,29)30)15(23-31-8-4-9-32-23)11-16(19)25(37)35-21-12-17-20(7-10-33-24(17)36)34-22(21)14-5-2-1-3-6-14/h1-6,8-9,11-13H,7,10H2,(H,33,36)(H,35,37)
InChIKeyGNXNTEXMNULGFJ-UHFFFAOYSA-N
XLogP4.90
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 118393454) is 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1cc2c(nc1-c1ccccc1)CCNC2=O)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is GNXNTEXMNULGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O2/c27-19-13-18(26(28,29)30)15(23-31-8-4-9-32-23)11-16(19)25(37)35-21-12-17-20(7-10-33-24(17)36)34-22(21)14-5-2-1-3-6-14/h1-6,8-9,11-13H,7,10H2,(H,33,36)(H,35,37).
What are the key properties of 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 507.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).