[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C19H22N6O — CID 167524533

IUPAC[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc2nnc(C3C4CN(C(=O)c5cc(C(C)C)[nH]n5)CC43)n2c1
InChIInChI=1S/C19H22N6O/c1-10(2)14-6-15(21-20-14)19(26)24-8-12-13(9-24)17(12)18-23-22-16-5-4-11(3)7-25(16)18/h4-7,10,12-13,17H,8-9H2,1-3H3,(H,20,21)
InChIKeyZJOPMKZIEJXITQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.37
Rot. Bonds3

About [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 167524533) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID167524533
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc2nnc(C3C4CN(C(=O)c5cc(C(C)C)[nH]n5)CC43)n2c1
InChIInChI=1S/C19H22N6O/c1-10(2)14-6-15(21-20-14)19(26)24-8-12-13(9-24)17(12)18-23-22-16-5-4-11(3)7-25(16)18/h4-7,10,12-13,17H,8-9H2,1-3H3,(H,20,21)
InChIKeyZJOPMKZIEJXITQ-UHFFFAOYSA-N
XLogP2.37
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 167524533) is [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccc2nnc(C3C4CN(C(=O)c5cc(C(C)C)[nH]n5)CC43)n2c1.
What is the InChIKey of [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZJOPMKZIEJXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-10(2)14-6-15(21-20-14)19(26)24-8-12-13(9-24)17(12)18-23-22-16-5-4-11(3)7-25(16)18/h4-7,10,12-13,17H,8-9H2,1-3H3,(H,20,21).
What are the key properties of [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 167524533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).