6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

C16H14FN5O3S — CID 19939795

IUPAC6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nsc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)nc32)n1
InChIInChI=1S/C16H14FN5O3S/c1-8-18-16(26-20-8)22-7-10(15(24)25)12(23)9-6-11(17)14(19-13(9)22)21-4-2-3-5-21/h6-7H,2-5H2,1H3,(H,24,25)
InChIKeyNXBWWDJFQCMFOT-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.98
Rot. Bonds3

About 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19939795) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID19939795
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC Name6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nsc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)nc32)n1
InChIInChI=1S/C16H14FN5O3S/c1-8-18-16(26-20-8)22-7-10(15(24)25)12(23)9-6-11(17)14(19-13(9)22)21-4-2-3-5-21/h6-7H,2-5H2,1H3,(H,24,25)
InChIKeyNXBWWDJFQCMFOT-UHFFFAOYSA-N
XLogP1.98
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 19939795) is 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is Cc1nsc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)nc32)n1.
What is the InChIKey of 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NXBWWDJFQCMFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-8-18-16(26-20-8)22-7-10(15(24)25)12(23)9-6-11(17)14(19-13(9)22)21-4-2-3-5-21/h6-7H,2-5H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 375.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).