3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane

C18H22N4 — CID 166721960

IUPAC3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESC=Cc1nc(N2CC3CC3C2)ccc1Cn1ccc(CC)n1
InChIInChI=1S/C18H22N4/c1-3-16-7-8-22(20-16)12-13-5-6-18(19-17(13)4-2)21-10-14-9-15(14)11-21/h4-8,14-15H,2-3,9-12H2,1H3
InChIKeyRXMXPUYDXBIKOY-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.99
Rot. Bonds5

About 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane

3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 166721960) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
PubChem CID166721960
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESC=Cc1nc(N2CC3CC3C2)ccc1Cn1ccc(CC)n1
InChIInChI=1S/C18H22N4/c1-3-16-7-8-22(20-16)12-13-5-6-18(19-17(13)4-2)21-10-14-9-15(14)11-21/h4-8,14-15H,2-3,9-12H2,1H3
InChIKeyRXMXPUYDXBIKOY-UHFFFAOYSA-N
XLogP2.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

3-[6-bromo-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747106
6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde
CID 166747122
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
CID 166747167
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826621
N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 158318415
[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
CID 166716344
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
CID 156825866
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 156826427
ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethenyl-3-pyridinyl]methyl]triazole-4-carboxylate
CID 158718268
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-bromopyrazole-4-carboxylate
CID 146371954

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane (CID 166721960) is 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane is C=Cc1nc(N2CC3CC3C2)ccc1Cn1ccc(CC)n1.
What is the InChIKey of 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is RXMXPUYDXBIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-3-16-7-8-22(20-16)12-13-5-6-18(19-17(13)4-2)21-10-14-9-15(14)11-21/h4-8,14-15H,2-3,9-12H2,1H3.
What are the key properties of 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 294.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166721960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).