1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid

C20H20FN3O3S — CID 142060746

IUPAC1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)c1csc(CCc2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)n1
InChIInChI=1S/C20H20FN3O3S/c1-10(2)16-9-28-17(22-16)6-5-15-14(21)7-12-18(25)13(20(26)27)8-24(11-3-4-11)19(12)23-15/h7-11H,3-6H2,1-2H3,(H,26,27)
InChIKeyLCSCSIMWTROAKC-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.93
Rot. Bonds6

About 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142060746) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid
PubChem CID142060746
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)c1csc(CCc2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)n1
InChIInChI=1S/C20H20FN3O3S/c1-10(2)16-9-28-17(22-16)6-5-15-14(21)7-12-18(25)13(20(26)27)8-24(11-3-4-11)19(12)23-15/h7-11H,3-6H2,1-2H3,(H,26,27)
InChIKeyLCSCSIMWTROAKC-UHFFFAOYSA-N
XLogP3.93
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid (CID 142060746) is 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid is CC(C)c1csc(CCc2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LCSCSIMWTROAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-10(2)16-9-28-17(22-16)6-5-15-14(21)7-12-18(25)13(20(26)27)8-24(11-3-4-11)19(12)23-15/h7-11H,3-6H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 401.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142060746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).