N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H19F2N5O2S — CID 154676064

About N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154676064) has the molecular formula C19H19F2N5O2S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 154676064
• Molecular Formula: C19H19F2N5O2S
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.12
• IUPAC Name: N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccnc4cc(F)cnc34)C[C@@H]2C)s1
• InChI: InChI=1S/C19H19F2N5O2S/c1-10-5-13(28-15-3-4-22-14-6-12(20)7-23-17(14)15)8-26(10)9-16-18(21)25-19(29-16)24-11(2)27/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,24,25,27)/t10-,13+/m0/s1
• InChIKey: VFDRYTZCFYWZMU-GXFFZTMASA-N
• XLogP: 3.36
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 154676064) is N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccnc4cc(F)cnc34)C[C@@H]2C)s1.

What is the InChIKey of N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is VFDRYTZCFYWZMU-GXFFZTMASA-N. The full InChI is InChI=1S/C19H19F2N5O2S/c1-10-5-13(28-15-3-4-22-14-6-12(20)7-23-17(14)15)8-26(10)9-16-18(21)25-19(29-16)24-11(2)27/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,24,25,27)/t10-,13+/m0/s1.

What are the key properties of N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-5-[[(2S,4R)-4-[(7-fluoro-1,5-naphthyridin-4-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154676064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).