1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C22H16N4OS — CID 160699260

IUPAC1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)c4ccc5sccc5c4)ncc3cn2)cn1
InChIInChI=1S/C22H16N4OS/c1-26-13-18(12-25-26)20-8-16-7-19(23-10-17(16)11-24-20)9-21(27)14-2-3-22-15(6-14)4-5-28-22/h2-8,10-13H,9H2,1H3
InChIKeyRQKBDWZUGFNDQL-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.67
Rot. Bonds4

About 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 160699260) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID160699260
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)c4ccc5sccc5c4)ncc3cn2)cn1
InChIInChI=1S/C22H16N4OS/c1-26-13-18(12-25-26)20-8-16-7-19(23-10-17(16)11-24-20)9-21(27)14-2-3-22-15(6-14)4-5-28-22/h2-8,10-13H,9H2,1H3
InChIKeyRQKBDWZUGFNDQL-UHFFFAOYSA-N
XLogP4.67
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 160699260) is 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is Cn1cc(-c2cc3cc(CC(=O)c4ccc5sccc5c4)ncc3cn2)cn1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is RQKBDWZUGFNDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-26-13-18(12-25-26)20-8-16-7-19(23-10-17(16)11-24-20)9-21(27)14-2-3-22-15(6-14)4-5-28-22/h2-8,10-13H,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 384.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 160699260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).