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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

C99H98Br3N45 — CID 157365133

IUPAC1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.Cn1cc(-c2cnc3c(N)nc(-c4ccccc4)cn23)cn1.Cn1cc(-c2cnc3c(N)ncc(Br)n23)cn1.Cn1cc(-c2cnc3c(N)nccn23)cn1.Nc1ncc(Br)n2ccnc12.Nc1nccn2c(Br)cnc12.Nc1nccn2ccnc12
InChIInChI=1S/C24H24N8.C21H25N7.C16H14N6.C10H9BrN6.C10H10N6.2C6H5BrN4.C6H6N4/c1-30(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;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4;1-21-9-12(7-19-21)14-8-18-16-15(17)20-13(10-22(14)16)11-5-3-2-4-6-11;1-16-5-6(2-15-16)7-3-14-10-9(12)13-4-8(11)17(7)10;1-15-6-7(4-14-15)8-5-13-10-9(11)12-2-3-16(8)10;7-4-3-10-5(8)6-9-1-2-11(4)6;7-4-3-10-6-5(8)9-1-2-11(4)6;7-5-6-9-2-4-10(6)3-1-8-5/h4-15H,25H2,1-3H3,(H,26,28);5-12,14-15H,13H2,1-4H3,(H,22,25);2-10H,1H3,(H2,17,20);2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);1-3H,(H2,8,10);1-3H,(H2,8,9);1-4H,(H2,7,8)
InChIKeyBJBZPHATHCJEPD-UHFFFAOYSA-N
MW2157.90 g/mol
LogP15.27
Rot. Bonds15

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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 157365133) has the molecular formula C99H98Br3N45 and a molecular weight of 2157.90 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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
PubChem CID157365133
Molecular FormulaC99H98Br3N45
Molecular Weight2157.90 g/mol
Exact Mass2153.66
IUPAC Name1-N-[3-[3-(3-aminophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.Cn1cc(-c2cnc3c(N)nc(-c4ccccc4)cn23)cn1.Cn1cc(-c2cnc3c(N)ncc(Br)n23)cn1.Cn1cc(-c2cnc3c(N)nccn23)cn1.Nc1ncc(Br)n2ccnc12.Nc1nccn2c(Br)cnc12.Nc1nccn2ccnc12
InChIInChI=1S/C24H24N8.C21H25N7.C16H14N6.C10H9BrN6.C10H10N6.2C6H5BrN4.C6H6N4/c1-30(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;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4;1-21-9-12(7-19-21)14-8-18-16-15(17)20-13(10-22(14)16)11-5-3-2-4-6-11;1-16-5-6(2-15-16)7-3-14-10-9(12)13-4-8(11)17(7)10;1-15-6-7(4-14-15)8-5-13-10-9(11)12-2-3-16(8)10;7-4-3-10-5(8)6-9-1-2-11(4)6;7-4-3-10-6-5(8)9-1-2-11(4)6;7-5-6-9-2-4-10(6)3-1-8-5/h4-15H,25H2,1-3H3,(H,26,28);5-12,14-15H,13H2,1-4H3,(H,22,25);2-10H,1H3,(H2,17,20);2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);1-3H,(H2,8,10);1-3H,(H2,8,9);1-4H,(H2,7,8)
InChIKeyBJBZPHATHCJEPD-UHFFFAOYSA-N
XLogP15.27
TPSA543.30 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds15
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002157.90
LogP ≤ 515.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine with MolForge

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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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (CID 157365133) 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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is CC(C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(N)c4)cnc23)c1.Cn1cc(-c2cnc3c(N)nc(-c4ccccc4)cn23)cn1.Cn1cc(-c2cnc3c(N)ncc(Br)n23)cn1.Cn1cc(-c2cnc3c(N)nccn23)cn1.Nc1ncc(Br)n2ccnc12.Nc1nccn2c(Br)cnc12.Nc1nccn2ccnc12.
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BJBZPHATHCJEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8.C21H25N7.C16H14N6.C10H9BrN6.C10H10N6.2C6H5BrN4.C6H6N4/c1-30(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;1-15(2)13-27-14-16(11-24-27)19-12-23-21-20(22-8-9-28(19)21)25-17-6-5-7-18(10-17)26(3)4;1-21-9-12(7-19-21)14-8-18-16-15(17)20-13(10-22(14)16)11-5-3-2-4-6-11;1-16-5-6(2-15-16)7-3-14-10-9(12)13-4-8(11)17(7)10;1-15-6-7(4-14-15)8-5-13-10-9(11)12-2-3-16(8)10;7-4-3-10-5(8)6-9-1-2-11(4)6;7-4-3-10-6-5(8)9-1-2-11(4)6;7-5-6-9-2-4-10(6)3-1-8-5/h4-15H,25H2,1-3H3,(H,26,28);5-12,14-15H,13H2,1-4H3,(H,22,25);2-10H,1H3,(H2,17,20);2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);1-3H,(H2,8,10);1-3H,(H2,8,9);1-4H,(H2,7,8).
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 2157.90 g/mol, XLogP of 15.27, 15 rotatable bonds, 9 hydrogen bond donors, and 45 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;3-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromoimidazo[1,2-a]pyrazin-8-amine;5-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 157365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).