3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile

C17H19N5 — CID 166747167

IUPAC3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1ccn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)n1
InChIInChI=1S/C17H19N5/c1-2-14-5-6-22(20-14)11-15-3-4-17(16(8-18)19-15)21-9-12-7-13(12)10-21/h3-6,12-13H,2,7,9-11H2,1H3
InChIKeyKCZWQGRCORLWLP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.22
Rot. Bonds4

About 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile

3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 166747167) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID166747167
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1ccn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)n1
InChIInChI=1S/C17H19N5/c1-2-14-5-6-22(20-14)11-15-3-4-17(16(8-18)19-15)21-9-12-7-13(12)10-21/h3-6,12-13H,2,7,9-11H2,1H3
InChIKeyKCZWQGRCORLWLP-UHFFFAOYSA-N
XLogP2.22
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile (CID 166747167) is 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile is CCc1ccn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)n1.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is KCZWQGRCORLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-14-5-6-22(20-14)11-15-3-4-17(16(8-18)19-15)21-9-12-7-13(12)10-21/h3-6,12-13H,2,7,9-11H2,1H3.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 166747167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).