(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen

C15H23N5O — CID 144745317

IUPAC(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2cnccn12.[H][H].[H][H]
InChIInChI=1S/C15H19N5O.2H2/c1-15(2,14-18-6-9-5-16-3-4-20(9)14)19-13(21)12-10-7-17-8-11(10)12;;/h3-6,10-12,17H,7-8H2,1-2H3,(H,19,21);2*1H/t10-,11+,12?;;
InChIKeyCUEXVULGFYIDMZ-REAUUIMGSA-N
MW289.38 g/mol
LogP1.04
Rot. Bonds3

About (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen

(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen (PubChem CID 144745317) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen
PubChem CID144745317
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2cnccn12.[H][H].[H][H]
InChIInChI=1S/C15H19N5O.2H2/c1-15(2,14-18-6-9-5-16-3-4-20(9)14)19-13(21)12-10-7-17-8-11(10)12;;/h3-6,10-12,17H,7-8H2,1-2H3,(H,19,21);2*1H/t10-,11+,12?;;
InChIKeyCUEXVULGFYIDMZ-REAUUIMGSA-N
XLogP1.04
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen?
The IUPAC name of (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen (CID 144745317) is (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen.
What is the SMILES notation for (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen?
The canonical SMILES for (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2cnccn12.[H][H].[H][H].
What is the InChIKey of (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen?
The InChIKey is CUEXVULGFYIDMZ-REAUUIMGSA-N. The full InChI is InChI=1S/C15H19N5O.2H2/c1-15(2,14-18-6-9-5-16-3-4-20(9)14)19-13(21)12-10-7-17-8-11(10)12;;/h3-6,10-12,17H,7-8H2,1-2H3,(H,19,21);2*1H/t10-,11+,12?;;.
What are the key properties of (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen?
(1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen has a molecular weight of 289.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(2-imidazo[1,5-a]pyrazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 144745317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).