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

C16H15N5O — CID 146828434

IUPAC1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)C4CC4)cc3c2)nn1
InChIInChI=1S/C16H15N5O/c1-21-9-15(19-20-21)12-4-11-5-13(6-16(22)10-2-3-10)17-8-14(11)18-7-12/h4-5,7-10H,2-3,6H2,1H3
InChIKeySDNOMOMDEHUXEP-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.95
Rot. Bonds4

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

1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 146828434) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID146828434
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCn1cc(-c2cnc3cnc(CC(=O)C4CC4)cc3c2)nn1
InChIInChI=1S/C16H15N5O/c1-21-9-15(19-20-21)12-4-11-5-13(6-16(22)10-2-3-10)17-8-14(11)18-7-12/h4-5,7-10H,2-3,6H2,1H3
InChIKeySDNOMOMDEHUXEP-UHFFFAOYSA-N
XLogP1.95
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
4-[2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carbaldehyde
CID 159019743
1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 148782259
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148801769
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
2,2,3,3-tetramethyl-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]cyclopropane-1-carboxamide
CID 138590781
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153101172
1-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-3-piperidin-1-ylbutan-2-one
CID 153255415
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022
2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
CID 158378498
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 146828434) is 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is Cn1cc(-c2cnc3cnc(CC(=O)C4CC4)cc3c2)nn1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is SDNOMOMDEHUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-9-15(19-20-21)12-4-11-5-13(6-16(22)10-2-3-10)17-8-14(11)18-7-12/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 293.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 146828434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).