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

C26H19F4N5O2 — CID 118393374

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CC(=O)NC4)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H19F4N5O2/c1-35-8-7-20(34-35)16-10-17(19(27)11-18(16)26(28,29)30)25(37)33-22-9-15-13-31-23(36)12-21(15)32-24(22)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,31,36)(H,33,37)
InChIKeyYMSDBGADFOUYMD-UHFFFAOYSA-N
MW509.46 g/mol
LogP4.73
Rot. Bonds4

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

2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393374) has the molecular formula C26H19F4N5O2 and a molecular weight of 509.46 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393374
Molecular FormulaC26H19F4N5O2
Molecular Weight509.46 g/mol
Exact Mass509.15
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CC(=O)NC4)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C26H19F4N5O2/c1-35-8-7-20(34-35)16-10-17(19(27)11-18(16)26(28,29)30)25(37)33-22-9-15-13-31-23(36)12-21(15)32-24(22)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,31,36)(H,33,37)
InChIKeyYMSDBGADFOUYMD-UHFFFAOYSA-N
XLogP4.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide (CID 118393374) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CC(=O)NC4)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is YMSDBGADFOUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O2/c1-35-8-7-20(34-35)16-10-17(19(27)11-18(16)26(28,29)30)25(37)33-22-9-15-13-31-23(36)12-21(15)32-24(22)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,31,36)(H,33,37).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 509.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(7-oxo-2-phenyl-6,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).