N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C116H102N44OS2 — CID 158755270

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(C)n(-c2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2)n1.Cc1nc2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2s1.Cn1cc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5cnccc5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(-c5csc(N)n5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc5cnccc45)nccn23)cn1
InChIInChI=1S/C21H20N8.C20H21N7O.C19H16N8S.2C19H15N7.C18H15N7S/c1-14-10-15(2)29(26-14)18-6-4-17(5-7-18)25-20-21-23-12-19(28(21)9-8-22-20)16-11-24-27(3)13-16;1-25-14-15(12-23-25)18-13-22-20-19(21-6-7-27(18)20)24-16-2-4-17(5-3-16)26-8-10-28-11-9-26;1-26-10-13(8-23-26)16-9-22-18-17(21-5-6-27(16)18)24-14-4-2-3-12(7-14)15-11-28-19(20)25-15;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-14-9-20-5-4-13(14)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-16-4-2-3-13-9-20-6-5-15(13)16;1-11-22-14-4-3-13(7-16(14)26-11)23-17-18-20-9-15(25(18)6-5-19-17)12-8-21-24(2)10-12/h4-13H,1-3H3,(H,22,25);2-7,12-14H,8-11H2,1H3,(H,21,24);2-11H,1H3,(H2,20,25)(H,21,24);2*2-12H,1H3,(H,21,24);3-10H,1-2H3,(H,19,23)
InChIKeyINZKDOQIAFMPEO-UHFFFAOYSA-N
MW2192.53 g/mol
LogP20.60
Rot. Bonds21

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158755270) has the molecular formula C116H102N44OS2 and a molecular weight of 2192.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID158755270
Molecular FormulaC116H102N44OS2
Molecular Weight2192.53 g/mol
Exact Mass2190.87
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(C)n(-c2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2)n1.Cc1nc2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2s1.Cn1cc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5cnccc5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(-c5csc(N)n5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc5cnccc45)nccn23)cn1
InChIInChI=1S/C21H20N8.C20H21N7O.C19H16N8S.2C19H15N7.C18H15N7S/c1-14-10-15(2)29(26-14)18-6-4-17(5-7-18)25-20-21-23-12-19(28(21)9-8-22-20)16-11-24-27(3)13-16;1-25-14-15(12-23-25)18-13-22-20-19(21-6-7-27(18)20)24-16-2-4-17(5-3-16)26-8-10-28-11-9-26;1-26-10-13(8-23-26)16-9-22-18-17(21-5-6-27(16)18)24-14-4-2-3-12(7-14)15-11-28-19(20)25-15;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-14-9-20-5-4-13(14)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-16-4-2-3-13-9-20-6-5-15(13)16;1-11-22-14-4-3-13(7-16(14)26-11)23-17-18-20-9-15(25(18)6-5-19-17)12-8-21-24(2)10-12/h4-13H,1-3H3,(H,22,25);2-7,12-14H,8-11H2,1H3,(H,21,24);2-11H,1H3,(H2,20,25)(H,21,24);2*2-12H,1H3,(H,21,24);3-10H,1-2H3,(H,19,23)
InChIKeyINZKDOQIAFMPEO-UHFFFAOYSA-N
XLogP20.60
TPSA468.11 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds21
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.53
LogP ≤ 520.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 158755270) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(C)n(-c2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2)n1.Cc1nc2ccc(Nc3nccn4c(-c5cnn(C)c5)cnc34)cc2s1.Cn1cc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5cnccc5c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc(-c5csc(N)n5)c4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4cccc5cnccc45)nccn23)cn1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is INZKDOQIAFMPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8.C20H21N7O.C19H16N8S.2C19H15N7.C18H15N7S/c1-14-10-15(2)29(26-14)18-6-4-17(5-7-18)25-20-21-23-12-19(28(21)9-8-22-20)16-11-24-27(3)13-16;1-25-14-15(12-23-25)18-13-22-20-19(21-6-7-27(18)20)24-16-2-4-17(5-3-16)26-8-10-28-11-9-26;1-26-10-13(8-23-26)16-9-22-18-17(21-5-6-27(16)18)24-14-4-2-3-12(7-14)15-11-28-19(20)25-15;1-25-12-15(10-23-25)17-11-22-19-18(21-6-7-26(17)19)24-16-3-2-14-9-20-5-4-13(14)8-16;1-25-12-14(10-23-25)17-11-22-19-18(21-7-8-26(17)19)24-16-4-2-3-13-9-20-6-5-15(13)16;1-11-22-14-4-3-13(7-16(14)26-11)23-17-18-20-9-15(25(18)6-5-19-17)12-8-21-24(2)10-12/h4-13H,1-3H3,(H,22,25);2-7,12-14H,8-11H2,1H3,(H,21,24);2-11H,1H3,(H2,20,25)(H,21,24);2*2-12H,1H3,(H,21,24);3-10H,1-2H3,(H,19,23).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 2192.53 g/mol, XLogP of 20.60, 21 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;4-[3-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-1,3-thiazol-2-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-6-amine;3-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158755270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).