N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C20H22N4O — CID 169493817

IUPACN-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNCC21)c1c2ccccc2cc2cncn12
InChIInChI=1S/C20H22N4O/c1-20(2,23-19(25)17-15-9-21-10-16(15)17)18-14-6-4-3-5-12(14)7-13-8-22-11-24(13)18/h3-8,11,15-17,21H,9-10H2,1-2H3,(H,23,25)
InChIKeySHPGSIJBOAMASZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds3

About N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 169493817) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID169493817
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNCC21)c1c2ccccc2cc2cncn12
InChIInChI=1S/C20H22N4O/c1-20(2,23-19(25)17-15-9-21-10-16(15)17)18-14-6-4-3-5-12(14)7-13-8-22-11-24(13)18/h3-8,11,15-17,21H,9-10H2,1-2H3,(H,23,25)
InChIKeySHPGSIJBOAMASZ-UHFFFAOYSA-N
XLogP2.30
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

(5S)-N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166949632
(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86293694
(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294063
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294248
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123608431
(5S)-N-[2-(1,2,3,4-tetrahydrophenanthridin-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166949633
(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
(1S,5R)-N-[2-(5-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294657
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123705917
N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123181501
(5S)-N-[2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166949754

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 169493817) is N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1C2CNCC21)c1c2ccccc2cc2cncn12.
What is the InChIKey of N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SHPGSIJBOAMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,23-19(25)17-15-9-21-10-16(15)17)18-14-6-4-3-5-12(14)7-13-8-22-11-24(13)18/h3-8,11,15-17,21H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-b]isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 169493817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).