4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide

C23H20N7O2+ — CID 89387520

IUPAC4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide
SMILESN#Cc1ccnc(NC(=O)c2ccc(C3=NC(C4CCOC4)=C4C=NC=C[N+]34N)cc2)c1
InChIInChI=1S/C23H19N7O2/c24-12-15-5-7-27-20(11-15)28-23(31)17-3-1-16(2-4-17)22-29-21(18-6-10-32-14-18)19-13-26-8-9-30(19,22)25/h1-5,7-9,11,13,18H,6,10,14,25H2/p+1
InChIKeyRPSNSINFXBZJAZ-UHFFFAOYSA-O
MW426.46 g/mol
LogP2.46
Rot. Bonds4

About 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide

4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide (PubChem CID 89387520) has the molecular formula C23H20N7O2+ and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide
PubChem CID89387520
Molecular FormulaC23H20N7O2+
Molecular Weight426.46 g/mol
Exact Mass426.17
IUPAC Name4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide
SMILESN#Cc1ccnc(NC(=O)c2ccc(C3=NC(C4CCOC4)=C4C=NC=C[N+]34N)cc2)c1
InChIInChI=1S/C23H19N7O2/c24-12-15-5-7-27-20(11-15)28-23(31)17-3-1-16(2-4-17)22-29-21(18-6-10-32-14-18)19-13-26-8-9-30(19,22)25/h1-5,7-9,11,13,18H,6,10,14,25H2/p+1
InChIKeyRPSNSINFXBZJAZ-UHFFFAOYSA-O
XLogP2.46
TPSA125.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide?
The IUPAC name of 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide (CID 89387520) is 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide?
The canonical SMILES for 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide is N#Cc1ccnc(NC(=O)c2ccc(C3=NC(C4CCOC4)=C4C=NC=C[N+]34N)cc2)c1.
What is the InChIKey of 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide?
The InChIKey is RPSNSINFXBZJAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H19N7O2/c24-12-15-5-7-27-20(11-15)28-23(31)17-3-1-16(2-4-17)22-29-21(18-6-10-32-14-18)19-13-26-8-9-30(19,22)25/h1-5,7-9,11,13,18H,6,10,14,25H2/p+1.
What are the key properties of 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide?
4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide is sourced from PubChem (CID 89387520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).