N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C78H86N34S2 — CID 158519739

IUPACN-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/2C22H23N9.2C17H20N8S/c1-15(23-2)19-13-31-20(16-10-26-29(3)12-16)11-25-22(31)21(28-19)27-17-4-6-18(7-5-17)30-9-8-24-14-30;1-23-8-7-18-14-31-20(16-11-26-29(2)13-16)12-25-22(31)21(28-18)27-17-3-5-19(6-4-17)30-10-9-24-15-30;1-10-5-15(26-23-10)22-16-17-19-7-14(12-6-20-24(4)8-12)25(17)9-13(21-16)11(2)18-3;1-11-6-15(26-23-11)22-16-17-19-8-14(12-7-20-24(3)9-12)25(17)10-13(21-16)4-5-18-2/h4-15,23H,1-3H3,(H,27,28);3-6,9-15,23H,7-8H2,1-2H3,(H,27,28);5-9,11,18H,1-4H3,(H,21,22);6-10,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyHMBMGHRYSWCHGK-UHFFFAOYSA-N
MW1563.92 g/mol
LogP11.48
Rot. Bonds24

About N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 158519739) has the molecular formula C78H86N34S2 and a molecular weight of 1563.92 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID158519739
Molecular FormulaC78H86N34S2
Molecular Weight1563.92 g/mol
Exact Mass1562.72
IUPAC NameN-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/2C22H23N9.2C17H20N8S/c1-15(23-2)19-13-31-20(16-10-26-29(3)12-16)11-25-22(31)21(28-19)27-17-4-6-18(7-5-17)30-9-8-24-14-30;1-23-8-7-18-14-31-20(16-11-26-29(2)13-16)12-25-22(31)21(28-18)27-17-3-5-19(6-4-17)30-10-9-24-15-30;1-10-5-15(26-23-10)22-16-17-19-7-14(12-6-20-24(4)8-12)25(17)9-13(21-16)11(2)18-3;1-11-6-15(26-23-11)22-16-17-19-8-14(12-7-20-24(3)9-12)25(17)10-13(21-16)4-5-18-2/h4-15,23H,1-3H3,(H,27,28);3-6,9-15,23H,7-8H2,1-2H3,(H,27,28);5-9,11,18H,1-4H3,(H,21,22);6-10,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyHMBMGHRYSWCHGK-UHFFFAOYSA-N
XLogP11.48
TPSA349.70 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001563.92
LogP ≤ 511.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 158519739) is N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNC(C)c1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.CNCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is HMBMGHRYSWCHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N9.2C17H20N8S/c1-15(23-2)19-13-31-20(16-10-26-29(3)12-16)11-25-22(31)21(28-19)27-17-4-6-18(7-5-17)30-9-8-24-14-30;1-23-8-7-18-14-31-20(16-11-26-29(2)13-16)12-25-22(31)21(28-18)27-17-3-5-19(6-4-17)30-10-9-24-15-30;1-10-5-15(26-23-10)22-16-17-19-7-14(12-6-20-24(4)8-12)25(17)9-13(21-16)11(2)18-3;1-11-6-15(26-23-11)22-16-17-19-8-14(12-7-20-24(3)9-12)25(17)10-13(21-16)4-5-18-2/h4-15,23H,1-3H3,(H,27,28);3-6,9-15,23H,7-8H2,1-2H3,(H,27,28);5-9,11,18H,1-4H3,(H,21,22);6-10,18H,4-5H2,1-3H3,(H,21,22).
What are the key properties of N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 1563.92 g/mol, XLogP of 11.48, 24 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[6-[1-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 158519739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).