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

C29H26F3N5O3 — CID 118393258

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

N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393258) has the molecular formula C29H26F3N5O3 and a molecular weight of 549.55 g/mol. Its IUPAC name is N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 118393258
• Molecular Formula: C29H26F3N5O3
• Molecular Weight: 549.55 g/mol
• Exact Mass: 549.20
• IUPAC Name: N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• SMILES: C[C@@H](O)C(=O)N1CCc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)cc2C1
• InChI: InChI=1S/C29H26F3N5O3/c1-17(38)28(40)37-13-11-23-20(16-37)15-25(26(33-23)18-6-4-3-5-7-18)34-27(39)19-8-9-22(29(30,31)32)21(14-19)24-10-12-36(2)35-24/h3-10,12,14-15,17,38H,11,13,16H2,1-2H3,(H,34,39)/t17-/m1/s1
• InChIKey: KQSNWHKCQYBPDE-QGZVFWFLSA-N
• XLogP: 4.69
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393258) is N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is C[C@@H](O)C(=O)N1CCc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)cc2C1.

What is the InChIKey of N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is KQSNWHKCQYBPDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C29H26F3N5O3/c1-17(38)28(40)37-13-11-23-20(16-37)15-25(26(33-23)18-6-4-3-5-7-18)34-27(39)19-8-9-22(29(30,31)32)21(14-19)24-10-12-36(2)35-24/h3-10,12,14-15,17,38H,11,13,16H2,1-2H3,(H,34,39)/t17-/m1/s1.

What are the key properties of N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 549.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).