1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid

C17H17N5O3S — CID 44819000

IUPAC1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)nc21
InChIInChI=1S/C17H17N5O3S/c1-20-10-12(16(24)25)14(23)11-2-3-13(19-15(11)20)21-5-7-22(8-6-21)17-18-4-9-26-17/h2-4,9-10H,5-8H2,1H3,(H,24,25)
InChIKeyCESDIODVYNIIPQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds3

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

1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid (PubChem CID 44819000) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid
PubChem CID44819000
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)nc21
InChIInChI=1S/C17H17N5O3S/c1-20-10-12(16(24)25)14(23)11-2-3-13(19-15(11)20)21-5-7-22(8-6-21)17-18-4-9-26-17/h2-4,9-10H,5-8H2,1H3,(H,24,25)
InChIKeyCESDIODVYNIIPQ-UHFFFAOYSA-N
XLogP1.41
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid (CID 44819000) is 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)nc21.
What is the InChIKey of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CESDIODVYNIIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-20-10-12(16(24)25)14(23)11-2-3-13(19-15(11)20)21-5-7-22(8-6-21)17-18-4-9-26-17/h2-4,9-10H,5-8H2,1H3,(H,24,25).
What are the key properties of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid?
1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 44819000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).