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

C20H23N5O — CID 158912241

IUPAC2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4C(C)(C)C4(C)C)cc3n2)nn1
InChIInChI=1S/C20H23N5O/c1-19(2)18(20(19,3)4)17(26)9-13-8-15-12(10-21-13)6-7-14(22-15)16-11-25(5)24-23-16/h6-8,10-11,18H,9H2,1-5H3
InChIKeyJGUIARPYQQRNHU-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.22
Rot. Bonds4

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

2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 158912241) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID158912241
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4C(C)(C)C4(C)C)cc3n2)nn1
InChIInChI=1S/C20H23N5O/c1-19(2)18(20(19,3)4)17(26)9-13-8-15-12(10-21-13)6-7-14(22-15)16-11-25(5)24-23-16/h6-8,10-11,18H,9H2,1-5H3
InChIKeyJGUIARPYQQRNHU-UHFFFAOYSA-N
XLogP3.22
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone with MolForge

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Related Compounds

1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590656
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138592093
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
2-N-methyl-5-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138591714
4-[2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carbaldehyde
CID 159019743
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
1-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylbutan-2-one
CID 153255415
2,2,3,3-tetramethyl-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]cyclopropane-1-carboxamide
CID 138590781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 158912241) is 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4C(C)(C)C4(C)C)cc3n2)nn1.
What is the InChIKey of 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is JGUIARPYQQRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-19(2)18(20(19,3)4)17(26)9-13-8-15-12(10-21-13)6-7-14(22-15)16-11-25(5)24-23-16/h6-8,10-11,18H,9H2,1-5H3.
What are the key properties of 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 349.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 158912241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).