1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide

C33H38N8O — CID 143460698

IUPAC1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide
SMILESCN(C)c1cccc(Nc2nccn3ccnc23)c1.CNN(C)/C=C(/C)Cc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H23N3O.C14H15N5/c1-15(14-22(3)20-2)12-16-8-7-11-18(13-16)21-19(23)17-9-5-4-6-10-17;1-18(2)12-5-3-4-11(10-12)17-13-14-16-7-9-19(14)8-6-15-13/h4-11,13-14,20H,12H2,1-3H3,(H,21,23);3-10H,1-2H3,(H,15,17)/b15-14-;
InChIKeyFGTQGSXXQOMFFJ-BGWNKZQTSA-N
MW562.72 g/mol
LogP5.99
Rot. Bonds9

About 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide

1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide (PubChem CID 143460698) has the molecular formula C33H38N8O and a molecular weight of 562.72 g/mol. Its IUPAC name is 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide.

Molecular Properties

Compound Name1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide
PubChem CID143460698
Molecular FormulaC33H38N8O
Molecular Weight562.72 g/mol
Exact Mass562.32
IUPAC Name1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide
SMILESCN(C)c1cccc(Nc2nccn3ccnc23)c1.CNN(C)/C=C(/C)Cc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H23N3O.C14H15N5/c1-15(14-22(3)20-2)12-16-8-7-11-18(13-16)21-19(23)17-9-5-4-6-10-17;1-18(2)12-5-3-4-11(10-12)17-13-14-16-7-9-19(14)8-6-15-13/h4-11,13-14,20H,12H2,1-3H3,(H,21,23);3-10H,1-2H3,(H,15,17)/b15-14-;
InChIKeyFGTQGSXXQOMFFJ-BGWNKZQTSA-N
XLogP5.99
TPSA89.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]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 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide?
The IUPAC name of 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide (CID 143460698) is 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide.
What is the SMILES notation for 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide?
The canonical SMILES for 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide is CN(C)c1cccc(Nc2nccn3ccnc23)c1.CNN(C)/C=C(/C)Cc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide?
The InChIKey is FGTQGSXXQOMFFJ-BGWNKZQTSA-N. The full InChI is InChI=1S/C19H23N3O.C14H15N5/c1-15(14-22(3)20-2)12-16-8-7-11-18(13-16)21-19(23)17-9-5-4-6-10-17;1-18(2)12-5-3-4-11(10-12)17-13-14-16-7-9-19(14)8-6-15-13/h4-11,13-14,20H,12H2,1-3H3,(H,21,23);3-10H,1-2H3,(H,15,17)/b15-14-;.
What are the key properties of 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide?
1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide has a molecular weight of 562.72 g/mol, XLogP of 5.99, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide is sourced from PubChem (CID 143460698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).