1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide

C55H52N16O — CID 157328223

About 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide

1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide (PubChem CID 157328223) has the molecular formula C55H52N16O and a molecular weight of 953.13 g/mol. Its IUPAC name is 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide
• PubChem CID: 157328223
• Molecular Formula: C55H52N16O
• Molecular Weight: 953.13 g/mol
• Exact Mass: 952.45
• IUPAC Name: 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide
• SMILES: CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(NC(=O)c5ccccc5)c4)cnc23)c1
• InChI: InChI=1S/C31H28N8O.C24H24N8/c1-37(2)25-14-8-13-24(18-25)34-29-30-33-19-27(39(30)16-15-32-29)26-20-38(3)36-28(26)22-11-7-12-23(17-22)35-31(40)21-9-5-4-6-10-21;1-30(2)19-9-5-8-18(13-19)28-23-24-27-14-21(32(24)11-10-26-23)20-15-31(3)29-22(20)16-6-4-7-17(25)12-16/h4-20H,1-3H3,(H,32,34)(H,35,40);4-15H,25H2,1-3H3,(H,26,28)
• InChIKey: BEYZTIVOQUFOMC-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 181.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.13
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide?

The IUPAC name of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide (CID 157328223) is 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide.

What is the SMILES notation for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide?

The canonical SMILES for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide is CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(NC(=O)c5ccccc5)c4)cnc23)c1.

What is the InChIKey of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide?

The InChIKey is BEYZTIVOQUFOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O.C24H24N8/c1-37(2)25-14-8-13-24(18-25)34-29-30-33-19-27(39(30)16-15-32-29)26-20-38(3)36-28(26)22-11-7-12-23(17-22)35-31(40)21-9-5-4-6-10-21;1-30(2)19-9-5-8-18(13-19)28-23-24-27-14-21(32(24)11-10-26-23)20-15-31(3)29-22(20)16-6-4-7-17(25)12-16/h4-20H,1-3H3,(H,32,34)(H,35,40);4-15H,25H2,1-3H3,(H,26,28).

What are the key properties of 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide?

1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide has a molecular weight of 953.13 g/mol, XLogP of 10.05, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 157328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).