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

C22H23N5O5S — CID 161031295

IUPAC5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)CC3CCCOC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H23N5O5S/c1-12-5-17(26-7-14(8-26)16(28)6-13-3-2-4-32-10-13)25-20-18(12)19(29)15(21(30)31)9-27(20)22-23-11-24-33-22/h5,9,11,13-14H,2-4,6-8,10H2,1H3,(H,30,31)
InChIKeyTZQPFWJGKNMOBS-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.07
Rot. Bonds6

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

5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 161031295) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID161031295
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)CC3CCCOC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H23N5O5S/c1-12-5-17(26-7-14(8-26)16(28)6-13-3-2-4-32-10-13)25-20-18(12)19(29)15(21(30)31)9-27(20)22-23-11-24-33-22/h5,9,11,13-14H,2-4,6-8,10H2,1H3,(H,30,31)
InChIKeyTZQPFWJGKNMOBS-UHFFFAOYSA-N
XLogP2.07
TPSA127.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-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 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 161031295) is 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)CC3CCCOC3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is TZQPFWJGKNMOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-12-5-17(26-7-14(8-26)16(28)6-13-3-2-4-32-10-13)25-20-18(12)19(29)15(21(30)31)9-27(20)22-23-11-24-33-22/h5,9,11,13-14H,2-4,6-8,10H2,1H3,(H,30,31).
What are the key properties of 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 469.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-[2-(oxan-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 161031295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).