2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline

C18H21N5 — CID 170778330

IUPAC2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
SMILESC[C@@H]1CC(n2cc(-c3cnc4ccccc4n3)cn2)C[C@H](C)N1
InChIInChI=1S/C18H21N5/c1-12-7-15(8-13(2)21-12)23-11-14(9-20-23)18-10-19-16-5-3-4-6-17(16)22-18/h3-6,9-13,15,21H,7-8H2,1-2H3/t12-,13+,15?
InChIKeyFDTBHTUXHIQYRT-NNQSOWQGSA-N
MW307.40 g/mol
LogP3.19
Rot. Bonds2

About 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline

2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline (PubChem CID 170778330) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
PubChem CID170778330
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
SMILESC[C@@H]1CC(n2cc(-c3cnc4ccccc4n3)cn2)C[C@H](C)N1
InChIInChI=1S/C18H21N5/c1-12-7-15(8-13(2)21-12)23-11-14(9-20-23)18-10-19-16-5-3-4-6-17(16)22-18/h3-6,9-13,15,21H,7-8H2,1-2H3/t12-,13+,15?
InChIKeyFDTBHTUXHIQYRT-NNQSOWQGSA-N
XLogP3.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
CID 175468049
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 170778313
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397
2,6-dimethyl-4-(4-methylsulfonylpyrazol-1-yl)piperidine
CID 165480123
2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
CID 3447283

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline (CID 170778330) is 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline is C[C@@H]1CC(n2cc(-c3cnc4ccccc4n3)cn2)C[C@H](C)N1.
What is the InChIKey of 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline?
The InChIKey is FDTBHTUXHIQYRT-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-7-15(8-13(2)21-12)23-11-14(9-20-23)18-10-19-16-5-3-4-6-17(16)22-18/h3-6,9-13,15,21H,7-8H2,1-2H3/t12-,13+,15?.
What are the key properties of 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline?
2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 170778330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).