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

C24H26N4O5S — CID 158343262

IUPAC5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C)(C(=O)CC3CCOCC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C24H26N4O5S/c1-14-9-18(27-12-24(2,13-27)17(29)10-15-3-6-33-7-4-15)26-21-19(14)20(30)16(22(31)32)11-28(21)23-25-5-8-34-23/h5,8-9,11,15H,3-4,6-7,10,12-13H2,1-2H3,(H,31,32)
InChIKeyGRKJZWDXSDPGDI-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.06
Rot. Bonds6

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

5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 158343262) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID158343262
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C)(C(=O)CC3CCOCC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C24H26N4O5S/c1-14-9-18(27-12-24(2,13-27)17(29)10-15-3-6-33-7-4-15)26-21-19(14)20(30)16(22(31)32)11-28(21)23-25-5-8-34-23/h5,8-9,11,15H,3-4,6-7,10,12-13H2,1-2H3,(H,31,32)
InChIKeyGRKJZWDXSDPGDI-UHFFFAOYSA-N
XLogP3.06
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 158343262) is 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C)(C(=O)CC3CCOCC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.
What is the InChIKey of 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is GRKJZWDXSDPGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-14-9-18(27-12-24(2,13-27)17(29)10-15-3-6-33-7-4-15)26-21-19(14)20(30)16(22(31)32)11-28(21)23-25-5-8-34-23/h5,8-9,11,15H,3-4,6-7,10,12-13H2,1-2H3,(H,31,32).
What are the key properties of 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 482.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-methyl-3-[2-(oxan-4-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158343262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).