6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))

C54H60N14O4V2 — CID 161012150

About 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))

6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)) (PubChem CID 161012150) has the molecular formula C54H60N14O4V2 and a molecular weight of 1071.06 g/mol. Its IUPAC name is 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)).

Molecular Properties

• Compound Name: 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))
• PubChem CID: 161012150
• Molecular Formula: C54H60N14O4V2
• Molecular Weight: 1071.06 g/mol
• Exact Mass: 1070.38
• IUPAC Name: 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))
• SMILES: C.C.[CH2-]CCc1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.[CH2-]N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.[CH2-]ONC=O.[CH2-]ONC=O.[V+2].[V+2]
• InChI: InChI=1S/C25H24N7.C23H20N5.2C2H4NO2.2CH4.2V/c1-30-10-12-31(13-11-30)22-6-4-21(5-7-22)28-24-25-27-8-9-32(25)17-23(29-24)18-2-3-19-15-26-16-20(19)14-18;1-2-3-16-4-8-20(9-5-16)26-22-23-25-10-11-28(23)15-21(27-22)17-6-7-18-13-24-14-19(18)12-17;2*1-5-3-2-4;;;;/h2-9,14-15,17H,1,10-13,16H2,(H,28,29);4-13,15H,1-3,14H2,(H,26,27);2*2H,1H2,(H,3,4);2*1H4;;/q4*-1;;;2*+2
• InChIKey: TXGKTYUPUQNSCH-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 192.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.06
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))?

The IUPAC name of 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)) (CID 161012150) is 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)).

What is the SMILES notation for 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))?

The canonical SMILES for 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)) is C.C.[CH2-]CCc1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.[CH2-]N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.[CH2-]ONC=O.[CH2-]ONC=O.[V+2].[V+2].

What is the InChIKey of 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))?

The InChIKey is TXGKTYUPUQNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N7.C23H20N5.2C2H4NO2.2CH4.2V/c1-30-10-12-31(13-11-30)22-6-4-21(5-7-22)28-24-25-27-8-9-32(25)17-23(29-24)18-2-3-19-15-26-16-20(19)14-18;1-2-3-16-4-8-20(9-5-16)26-22-23-25-10-11-28(23)15-21(27-22)17-6-7-18-13-24-14-19(18)12-17;2*1-5-3-2-4;;;;/h2-9,14-15,17H,1,10-13,16H2,(H,28,29);4-13,15H,1-3,14H2,(H,26,27);2*2H,1H2,(H,3,4);2*1H4;;/q4*-1;;;2*+2.

What are the key properties of 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+))?

6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)) has a molecular weight of 1071.06 g/mol, XLogP of 9.00, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3H-isoindol-5-yl)-N-[4-(4-methanidylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;6-(3H-isoindol-5-yl)-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine;methane;bis(N-methanidyloxyformamide);bis(vanadium(2+)) is sourced from PubChem (CID 161012150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).