[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

C22H24N8O — CID 145088877

IUPAC[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILES[H]/N=C\C=N/Nc1ccccc1C(=O)N1CC2CCC(C1)N2c1nc(C)n2ccncc12
InChIInChI=1S/C22H24N8O/c1-15-26-21(20-12-24-10-11-29(15)20)30-16-6-7-17(30)14-28(13-16)22(31)18-4-2-3-5-19(18)27-25-9-8-23/h2-5,8-12,16-17,23,27H,6-7,13-14H2,1H3/b23-8-,25-9-
InChIKeyFBGFAQLCJWLSCZ-FVQOSQDWSA-N
MW416.49 g/mol
LogP2.58
Rot. Bonds5

About [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 145088877) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID145088877
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILES[H]/N=C\C=N/Nc1ccccc1C(=O)N1CC2CCC(C1)N2c1nc(C)n2ccncc12
InChIInChI=1S/C22H24N8O/c1-15-26-21(20-12-24-10-11-29(15)20)30-16-6-7-17(30)14-28(13-16)22(31)18-4-2-3-5-19(18)27-25-9-8-23/h2-5,8-12,16-17,23,27H,6-7,13-14H2,1H3/b23-8-,25-9-
InChIKeyFBGFAQLCJWLSCZ-FVQOSQDWSA-N
XLogP2.58
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 145088877) is [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is [H]/N=C\C=N/Nc1ccccc1C(=O)N1CC2CCC(C1)N2c1nc(C)n2ccncc12.
What is the InChIKey of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is FBGFAQLCJWLSCZ-FVQOSQDWSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-26-21(20-12-24-10-11-29(15)20)30-16-6-7-17(30)14-28(13-16)22(31)18-4-2-3-5-19(18)27-25-9-8-23/h2-5,8-12,16-17,23,27H,6-7,13-14H2,1H3/b23-8-,25-9-.
What are the key properties of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[8-(3-methylimidazo[1,5-a]pyrazin-1-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 145088877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).