2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline

C18H19N5 — CID 170778013

IUPAC2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
SMILESc1ccc2nc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2c1
InChIInChI=1S/C18H19N5/c1-2-4-17-16(3-1)19-10-18(22-17)12-9-20-23(11-12)15-7-13-5-6-14(8-15)21-13/h1-4,9-11,13-15,21H,5-8H2
InChIKeyKSDFIWBMAIXOQC-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.95
Rot. Bonds2

About 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline

2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline (PubChem CID 170778013) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
PubChem CID170778013
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
SMILESc1ccc2nc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2c1
InChIInChI=1S/C18H19N5/c1-2-4-17-16(3-1)19-10-18(22-17)12-9-20-23(11-12)15-7-13-5-6-14(8-15)21-13/h1-4,9-11,13-15,21H,5-8H2
InChIKeyKSDFIWBMAIXOQC-UHFFFAOYSA-N
XLogP2.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
[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
3-[4-[5-(oxan-4-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutane-1-carbaldehyde
CID 170778379
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397
3-[4-[5-(1-methylpiperidin-4-yl)quinoxalin-2-yl]pyrazol-1-yl]cyclobutane-1-carbaldehyde
CID 170778229

Frequently Asked Questions

What is the IUPAC name of 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline (CID 170778013) is 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline is c1ccc2nc(-c3cnn(C4CC5CCC(C4)N5)c3)cnc2c1.
What is the InChIKey of 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline?
The InChIKey is KSDFIWBMAIXOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-4-17-16(3-1)19-10-18(22-17)12-9-20-23(11-12)15-7-13-5-6-14(8-15)21-13/h1-4,9-11,13-15,21H,5-8H2.
What are the key properties of 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline?
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline has a molecular weight of 305.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 170778013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).