6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

C19H12ClN5OS — CID 137438117

IUPAC6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C19H12ClN5OS/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2-9H,1H3,(H,21,23,26)
InChIKeyARNZKVPMBKAWCG-UHFFFAOYSA-N
MW393.86 g/mol
LogP4.25
Rot. Bonds2

About 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438117) has the molecular formula C19H12ClN5OS and a molecular weight of 393.86 g/mol. Its IUPAC name is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438117
Molecular FormulaC19H12ClN5OS
Molecular Weight393.86 g/mol
Exact Mass393.05
IUPAC Name6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C19H12ClN5OS/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2-9H,1H3,(H,21,23,26)
InChIKeyARNZKVPMBKAWCG-UHFFFAOYSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (CID 137438117) is 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.
What is the InChIKey of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ARNZKVPMBKAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5OS/c1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18/h2-9H,1H3,(H,21,23,26).
What are the key properties of 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 393.86 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).