2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline

C17H19N5 — CID 133275794

IUPAC2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
SMILESCc1nc2ccccc2nc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C17H19N5/c1-13-17(20-16-8-3-2-7-15(16)19-13)21-10-4-6-14(12-21)22-11-5-9-18-22/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeySPABIYXAZVEEFQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.98
Rot. Bonds2

About 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline

2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline (PubChem CID 133275794) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
PubChem CID133275794
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
SMILESCc1nc2ccccc2nc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C17H19N5/c1-13-17(20-16-8-3-2-7-15(16)19-13)21-10-4-6-14(12-21)22-11-5-9-18-22/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeySPABIYXAZVEEFQ-UHFFFAOYSA-N
XLogP2.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275818
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133275758
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
CID 115314777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline?
The IUPAC name of 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline (CID 133275794) is 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline.
What is the SMILES notation for 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline?
The canonical SMILES for 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline is Cc1nc2ccccc2nc1N1CCCC(n2cccn2)C1.
What is the InChIKey of 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline?
The InChIKey is SPABIYXAZVEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-17(20-16-8-3-2-7-15(16)19-13)21-10-4-6-14(12-21)22-11-5-9-18-22/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3.
What are the key properties of 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline?
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline has a molecular weight of 293.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline is sourced from PubChem (CID 133275794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).