1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

C24H25N7OS — CID 148801769

IUPAC1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(Sc2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7OS/c1-30-7-4-20(5-8-30)33-24-11-16(3-6-25-24)23(32)12-19-10-17-9-18(13-27-21(17)14-26-19)22-15-31(2)29-28-22/h3,6,9-11,13-15,20H,4-5,7-8,12H2,1-2H3
InChIKeyOOEARZLDEDFTMB-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 148801769) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID148801769
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(Sc2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7OS/c1-30-7-4-20(5-8-30)33-24-11-16(3-6-25-24)23(32)12-19-10-17-9-18(13-27-21(17)14-26-19)22-15-31(2)29-28-22/h3,6,9-11,13-15,20H,4-5,7-8,12H2,1-2H3
InChIKeyOOEARZLDEDFTMB-UHFFFAOYSA-N
XLogP3.43
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159579940
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159348994
1-[2-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 162095531
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 148782259
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 147729876
1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158347422
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158242202
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 148801769) is 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is CN1CCC(Sc2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is OOEARZLDEDFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-30-7-4-20(5-8-30)33-24-11-16(3-6-25-24)23(32)12-19-10-17-9-18(13-27-21(17)14-26-19)22-15-31(2)29-28-22/h3,6,9-11,13-15,20H,4-5,7-8,12H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 459.58 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 148801769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).