ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate

C19H20FN5O4S — CID 10972101

About ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate

ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate (PubChem CID 10972101) has the molecular formula C19H20FN5O4S and a molecular weight of 433.47 g/mol. Its IUPAC name is ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
• PubChem CID: 10972101
• Molecular Formula: C19H20FN5O4S
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.12
• IUPAC Name: ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(-c2nccs2)c2nc(N3C[C@H](OC)[C@@H](N)C3)c(F)cc2c1=O
• InChI: InChI=1S/C19H20FN5O4S/c1-3-29-18(27)11-7-25(19-22-4-5-30-19)16-10(15(11)26)6-12(20)17(23-16)24-8-13(21)14(9-24)28-2/h4-7,13-14H,3,8-9,21H2,1-2H3/t13-,14-/m0/s1
• InChIKey: HNYMSDIPEGESSG-KBPBESRZSA-N
• XLogP: 1.32
• TPSA: 112.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate (CID 10972101) is ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2nccs2)c2nc(N3C[C@H](OC)[C@@H](N)C3)c(F)cc2c1=O.

What is the InChIKey of ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?

The InChIKey is HNYMSDIPEGESSG-KBPBESRZSA-N. The full InChI is InChI=1S/C19H20FN5O4S/c1-3-29-18(27)11-7-25(19-22-4-5-30-19)16-10(15(11)26)6-12(20)17(23-16)24-8-13(21)14(9-24)28-2/h4-7,13-14H,3,8-9,21H2,1-2H3/t13-,14-/m0/s1.

What are the key properties of ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate?

ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10972101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).