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

C22H21N7O5S — CID 148910202

IUPAC7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(O)(C(=O)Cc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H21N7O5S/c1-11-4-16(28-8-22(34,9-28)15(30)6-13-5-12(2)27(3)26-13)25-19-17(11)18(31)14(20(32)33)7-29(19)21-23-10-24-35-21/h4-5,7,10,34H,6,8-9H2,1-3H3,(H,32,33)
InChIKeyPIMAPKVJQVUHCT-UHFFFAOYSA-N
MW495.52 g/mol
LogP0.65
Rot. Bonds6

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

7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 148910202) has the molecular formula C22H21N7O5S and a molecular weight of 495.52 g/mol. Its IUPAC name is 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID148910202
Molecular FormulaC22H21N7O5S
Molecular Weight495.52 g/mol
Exact Mass495.13
IUPAC Name7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(O)(C(=O)Cc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H21N7O5S/c1-11-4-16(28-8-22(34,9-28)15(30)6-13-5-12(2)27(3)26-13)25-19-17(11)18(31)14(20(32)33)7-29(19)21-23-10-24-35-21/h4-5,7,10,34H,6,8-9H2,1-3H3,(H,32,33)
InChIKeyPIMAPKVJQVUHCT-UHFFFAOYSA-N
XLogP0.65
TPSA156.33 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.52
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-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-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 148910202) is 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-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-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-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-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(O)(C(=O)Cc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is PIMAPKVJQVUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O5S/c1-11-4-16(28-8-22(34,9-28)15(30)6-13-5-12(2)27(3)26-13)25-19-17(11)18(31)14(20(32)33)7-29(19)21-23-10-24-35-21/h4-5,7,10,34H,6,8-9H2,1-3H3,(H,32,33).
What are the key properties of 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 495.52 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 148910202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).