2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone

C20H21N9O — CID 162016532

IUPAC2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)c4cn(C5CCNCC5)nn4)ncc3cn2)nn1
InChIInChI=1S/C20H21N9O/c1-28-11-18(24-26-28)17-7-13-6-15(22-9-14(13)10-23-17)8-20(30)19-12-29(27-25-19)16-2-4-21-5-3-16/h6-7,9-12,16,21H,2-5,8H2,1H3
InChIKeyYUEHRROQTJWNOV-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.37
Rot. Bonds5

About 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone

2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone (PubChem CID 162016532) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
PubChem CID162016532
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)c4cn(C5CCNCC5)nn4)ncc3cn2)nn1
InChIInChI=1S/C20H21N9O/c1-28-11-18(24-26-28)17-7-13-6-15(22-9-14(13)10-23-17)8-20(30)19-12-29(27-25-19)16-2-4-21-5-3-16/h6-7,9-12,16,21H,2-5,8H2,1H3
InChIKeyYUEHRROQTJWNOV-UHFFFAOYSA-N
XLogP1.37
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 157434152
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147372475
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159579940
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147858441
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone
CID 158214708
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]triazol-4-yl]-2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]ethanone
CID 160657363
2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 161155685

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The IUPAC name of 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone (CID 162016532) is 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone is Cn1cc(-c2cc3cc(CC(=O)c4cn(C5CCNCC5)nn4)ncc3cn2)nn1.
What is the InChIKey of 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The InChIKey is YUEHRROQTJWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-28-11-18(24-26-28)17-7-13-6-15(22-9-14(13)10-23-17)8-20(30)19-12-29(27-25-19)16-2-4-21-5-3-16/h6-7,9-12,16,21H,2-5,8H2,1H3.
What are the key properties of 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone has a molecular weight of 403.45 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone is sourced from PubChem (CID 162016532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).