6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone

C17H23N3O — CID 56893919

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3cncc3C1)C2
InChIInChI=1S/C17H23N3O/c1-12-16(2,3)13-4-5-17(12,8-13)15(21)19-6-7-20-11-18-9-14(20)10-19/h9,11,13H,1,4-8,10H2,2-3H3/t13-,17-/m0/s1
InChIKeyGVKBNGGNOXLHLI-GUYCJALGSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds1

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone (PubChem CID 56893919) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone
PubChem CID56893919
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone
SMILESC=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3cncc3C1)C2
InChIInChI=1S/C17H23N3O/c1-12-16(2,3)13-4-5-17(12,8-13)15(21)19-6-7-20-11-18-9-14(20)10-19/h9,11,13H,1,4-8,10H2,2-3H3/t13-,17-/m0/s1
InChIKeyGVKBNGGNOXLHLI-GUYCJALGSA-N
XLogP2.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone (CID 56893919) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone is C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3cncc3C1)C2.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone?
The InChIKey is GVKBNGGNOXLHLI-GUYCJALGSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-16(2,3)13-4-5-17(12,8-13)15(21)19-6-7-20-11-18-9-14(20)10-19/h9,11,13H,1,4-8,10H2,2-3H3/t13-,17-/m0/s1.
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[(1S,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanone is sourced from PubChem (CID 56893919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).