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

C26H20F3N5O2 — CID 118393365

IUPAC3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CNC(=O)C4)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H20F3N5O2/c1-34-10-9-20(33-34)18-11-16(7-8-19(18)26(27,28)29)25(36)32-21-12-17-13-23(35)30-14-22(17)31-24(21)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,30,35)(H,32,36)
InChIKeySQUIHMCHMWSUGR-UHFFFAOYSA-N
MW491.47 g/mol
LogP4.59
Rot. Bonds4

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

3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393365) has the molecular formula C26H20F3N5O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393365
Molecular FormulaC26H20F3N5O2
Molecular Weight491.47 g/mol
Exact Mass491.16
IUPAC Name3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CNC(=O)C4)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H20F3N5O2/c1-34-10-9-20(33-34)18-11-16(7-8-19(18)26(27,28)29)25(36)32-21-12-17-13-23(35)30-14-22(17)31-24(21)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,30,35)(H,32,36)
InChIKeySQUIHMCHMWSUGR-UHFFFAOYSA-N
XLogP4.59
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide (CID 118393365) is 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CNC(=O)C4)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is SQUIHMCHMWSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O2/c1-34-10-9-20(33-34)18-11-16(7-8-19(18)26(27,28)29)25(36)32-21-12-17-13-23(35)30-14-22(17)31-24(21)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,30,35)(H,32,36).
What are the key properties of 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide?
3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 491.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-N-(6-oxo-2-phenyl-7,8-dihydro-5H-1,7-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).