7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C19H17N5O4S — CID 142435603

IUPAC7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)C3CC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C19H17N5O4S/c1-9-4-13(23-5-11(6-23)15(25)10-2-3-10)22-17-14(9)16(26)12(18(27)28)7-24(17)19-20-8-21-29-19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,27,28)
InChIKeyFLPVGBWNQUJUII-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.66
Rot. Bonds5

About 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435603) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435603
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)C3CC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C19H17N5O4S/c1-9-4-13(23-5-11(6-23)15(25)10-2-3-10)22-17-14(9)16(26)12(18(27)28)7-24(17)19-20-8-21-29-19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,27,28)
InChIKeyFLPVGBWNQUJUII-UHFFFAOYSA-N
XLogP1.66
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146345433
7-[3-(2-cyclohexylacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161388635
7-[3-(3-ethoxy-3-oxopropanoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434729
5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434928
7-[3-(4-carboxypyrazol-1-yl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435018
5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435345
7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435616
7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146345420
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
5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-7-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 142434817
5-methyl-7-[3-[(5-methyl-1H-pyrrol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 169098438
7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435438

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435603) is 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)C3CC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FLPVGBWNQUJUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-9-4-13(23-5-11(6-23)15(25)10-2-3-10)22-17-14(9)16(26)12(18(27)28)7-24(17)19-20-8-21-29-19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,27,28).
What are the key properties of 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 411.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).