ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate

C18H19N5O2 — CID 156826563

IUPACethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)c1
InChIInChI=1S/C18H19N5O2/c1-2-25-18(24)14-7-20-23(10-14)11-15-3-4-17(16(6-19)21-15)22-8-12-5-13(12)9-22/h3-4,7,10,12-13H,2,5,8-9,11H2,1H3
InChIKeyJQDUORLVGQCTHY-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.83
Rot. Bonds5

About ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate

ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 156826563) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID156826563
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Nameethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)c1
InChIInChI=1S/C18H19N5O2/c1-2-25-18(24)14-7-20-23(10-14)11-15-3-4-17(16(6-19)21-15)22-8-12-5-13(12)9-22/h3-4,7,10,12-13H,2,5,8-9,11H2,1H3
InChIKeyJQDUORLVGQCTHY-UHFFFAOYSA-N
XLogP1.83
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]methyl]pyrazole-4-carboxylate
CID 129078754
1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826297
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
CID 166747167
ethyl 1-[[4-[(4-oxo-3-azabicyclo[4.1.0]heptan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxylate
CID 129097112
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 81497892
ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488143
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate (CID 156826563) is ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)c(C#N)n2)c1.
What is the InChIKey of ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is JQDUORLVGQCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-18(24)14-7-20-23(10-14)11-15-3-4-17(16(6-19)21-15)22-8-12-5-13(12)9-22/h3-4,7,10,12-13H,2,5,8-9,11H2,1H3.
What are the key properties of ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-6-cyano-2-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 156826563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).