5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C18H15N7O3S — CID 142434549

IUPAC5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(n3cccn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C18H15N7O3S/c1-10-5-13(23-6-11(7-23)25-4-2-3-20-25)22-16-14(10)15(26)12(17(27)28)8-24(16)18-19-9-21-29-18/h2-5,8-9,11H,6-7H2,1H3,(H,27,28)
InChIKeyHQNDWGYONTXYFH-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.50
Rot. Bonds4

About 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434549) has the molecular formula C18H15N7O3S and a molecular weight of 409.43 g/mol. Its IUPAC name is 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434549
Molecular FormulaC18H15N7O3S
Molecular Weight409.43 g/mol
Exact Mass409.10
IUPAC Name5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(n3cccn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C18H15N7O3S/c1-10-5-13(23-6-11(7-23)25-4-2-3-20-25)22-16-14(10)15(26)12(17(27)28)8-24(16)18-19-9-21-29-18/h2-5,8-9,11H,6-7H2,1H3,(H,27,28)
InChIKeyHQNDWGYONTXYFH-UHFFFAOYSA-N
XLogP1.50
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434549) is 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(n3cccn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is HQNDWGYONTXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O3S/c1-10-5-13(23-6-11(7-23)25-4-2-3-20-25)22-16-14(10)15(26)12(17(27)28)8-24(16)18-19-9-21-29-18/h2-5,8-9,11H,6-7H2,1H3,(H,27,28).
What are the key properties of 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 409.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).