2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide

C23H23FN4O2S2 — CID 42429933

About 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide

2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide (PubChem CID 42429933) has the molecular formula C23H23FN4O2S2 and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
• PubChem CID: 42429933
• Molecular Formula: C23H23FN4O2S2
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.12
• IUPAC Name: 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
• SMILES: Cc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccccc3F)C2)n1
• InChI: InChI=1S/C23H23FN4O2S2/c1-14-12-31-23(27-14)32-13-21(29)28-8-7-17-16(11-28)9-25-15(2)19(17)10-26-22(30)18-5-3-4-6-20(18)24/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,26,30)
• InChIKey: VQLXFGBCXQNXIJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?

The IUPAC name of 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide (CID 42429933) is 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?

The canonical SMILES for 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide is Cc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccccc3F)C2)n1.

What is the InChIKey of 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?

The InChIKey is VQLXFGBCXQNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S2/c1-14-12-31-23(27-14)32-13-21(29)28-8-7-17-16(11-28)9-25-15(2)19(17)10-26-22(30)18-5-3-4-6-20(18)24/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,26,30).

What are the key properties of 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?

2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide is sourced from PubChem (CID 42429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).