8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C103H115N37O2 — CID 158220691

IUPAC8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C28H33N9O.C26H29N9.C25H28N10.C24H25N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21;1-4-21-26-31-30-18(2)34(26)17-23(28-21)25-29-22-9-8-20(33-13-11-32(3)12-14-33)15-24(22)35(25)16-19-7-5-6-10-27-19;1-4-19-25-31-30-17(2)34(25)16-21(28-19)24-29-20-14-27-23(33-11-9-32(3)10-12-33)13-22(20)35(24)15-18-7-5-6-8-26-18;1-3-18-24-30-29-16(2)32(24)15-20(27-18)23-28-19-13-26-22(31-8-10-34-11-9-31)12-21(19)33(23)14-17-6-4-5-7-25-17/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31);5-10,15,17H,4,11-14,16H2,1-3H3;5-8,13-14,16H,4,9-12,15H2,1-3H3;4-7,12-13,15H,3,8-11,14H2,1-2H3/t18-,19-;;;/m0.../s1
InChIKeyGDEZWFHLHGIACV-NWMPYMMKSA-N
MW1903.31 g/mol
LogP12.99
Rot. Bonds21

About 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 158220691) has the molecular formula C103H115N37O2 and a molecular weight of 1903.31 g/mol. Its IUPAC name is 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID158220691
Molecular FormulaC103H115N37O2
Molecular Weight1903.31 g/mol
Exact Mass1902.00
IUPAC Name8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C28H33N9O.C26H29N9.C25H28N10.C24H25N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21;1-4-21-26-31-30-18(2)34(26)17-23(28-21)25-29-22-9-8-20(33-13-11-32(3)12-14-33)15-24(22)35(25)16-19-7-5-6-10-27-19;1-4-19-25-31-30-17(2)34(25)16-21(28-19)24-29-20-14-27-23(33-11-9-32(3)10-12-33)13-22(20)35(24)15-18-7-5-6-8-26-18;1-3-18-24-30-29-16(2)32(24)15-20(27-18)23-28-19-13-26-22(31-8-10-34-11-9-31)12-21(19)33(23)14-17-6-4-5-7-25-17/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31);5-10,15,17H,4,11-14,16H2,1-3H3;5-8,13-14,16H,4,9-12,15H2,1-3H3;4-7,12-13,15H,3,8-11,14H2,1-2H3/t18-,19-;;;/m0.../s1
InChIKeyGDEZWFHLHGIACV-NWMPYMMKSA-N
XLogP12.99
TPSA370.87 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001903.31
LogP ≤ 512.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 158220691) is 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.CCc1nc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2ccccn2)cn2c(C)nnc12.Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3[C@@H](C)c3ccccc3)cn12.
What is the InChIKey of 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is GDEZWFHLHGIACV-NWMPYMMKSA-N. The full InChI is InChI=1S/C28H33N9O.C26H29N9.C25H28N10.C24H25N9O/c1-17(2)30-26-28-34-33-20(5)36(28)15-23(31-26)27-32-22-14-29-25(35-11-12-38-16-18(35)3)13-24(22)37(27)19(4)21-9-7-6-8-10-21;1-4-21-26-31-30-18(2)34(26)17-23(28-21)25-29-22-9-8-20(33-13-11-32(3)12-14-33)15-24(22)35(25)16-19-7-5-6-10-27-19;1-4-19-25-31-30-17(2)34(25)16-21(28-19)24-29-20-14-27-23(33-11-9-32(3)10-12-33)13-22(20)35(24)15-18-7-5-6-8-26-18;1-3-18-24-30-29-16(2)32(24)15-20(27-18)23-28-19-13-26-22(31-8-10-34-11-9-31)12-21(19)33(23)14-17-6-4-5-7-25-17/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,31);5-10,15,17H,4,11-14,16H2,1-3H3;5-8,13-14,16H,4,9-12,15H2,1-3H3;4-7,12-13,15H,3,8-11,14H2,1-2H3/t18-,19-;;;/m0.../s1.
What are the key properties of 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 1903.31 g/mol, XLogP of 12.99, 21 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;8-ethyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine;4-[2-(8-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-6-yl]morpholine;3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 158220691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).