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

C21H15N5OS — CID 160883292

IUPAC1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)c4ccc5scnc5c4)cc3c2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-11-16(9-25-26)15-4-14-5-17(22-10-19(14)23-8-15)7-20(27)13-2-3-21-18(6-13)24-12-28-21/h2-6,8-12H,7H2,1H3
InChIKeySNHPLRRYVVXLNH-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.07
Rot. Bonds4

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

1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 160883292) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID160883292
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)c4ccc5scnc5c4)cc3c2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-11-16(9-25-26)15-4-14-5-17(22-10-19(14)23-8-15)7-20(27)13-2-3-21-18(6-13)24-12-28-21/h2-6,8-12H,7H2,1H3
InChIKeySNHPLRRYVVXLNH-UHFFFAOYSA-N
XLogP4.07
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158347422
1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160699260
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
CID 158867553
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 159117959
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 160614109
1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
CID 160947162
1-[4-(difluoromethoxy)phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 146857151

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 160883292) is 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is Cn1cc(-c2cnc3cnc(CC(=O)c4ccc5scnc5c4)cc3c2)cn1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is SNHPLRRYVVXLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-26-11-16(9-25-26)15-4-14-5-17(22-10-19(14)23-8-15)7-20(27)13-2-3-21-18(6-13)24-12-28-21/h2-6,8-12H,7H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 385.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 160883292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).