ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol

C126H156N30O19S6 — CID 160526713

IUPACethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol
SMILESCC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C.CCOC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)nc1C.Cc1ccnc(N2CCn3c(cc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)n1.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(C)(C)O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(N)=O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1CO
InChIInChI=1S/C22H27N5O4S.C22H29N5O3S.C21H25N5O3S.C21H26N4O3S.C20H24N6O3S.C20H25N5O3S/c1-6-31-21(28)16-12-23-22(24-14(16)4)27-10-9-26-18-11-15(32(5,29)30)7-8-17(18)25-20(26)19(27)13(2)3;1-13(2)19-20-25-17-8-7-15(31(6,29)30)11-18(17)26(20)9-10-27(19)21-23-12-16(14(3)24-21)22(4,5)28;1-12(2)19-20-24-17-7-6-15(30(5,28)29)10-18(17)25(20)8-9-26(19)21-22-11-16(14(4)27)13(3)23-21;1-13(2)20-18-10-15-9-16(12-26)19(29(4,27)28)11-17(15)24(18)7-8-25(20)21-22-6-5-14(3)23-21;1-11(2)17-19-24-15-6-5-13(30(4,28)29)9-16(15)25(19)7-8-26(17)20-22-10-14(18(21)27)12(3)23-20;1-12(2)18-19-23-16-6-5-15(29(4,27)28)9-17(16)24(19)7-8-25(18)20-21-10-14(11-26)13(3)22-20/h7-8,11-13,19H,6,9-10H2,1-5H3;7-8,11-13,19,28H,9-10H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-6,9-11,13,20,26H,7-8,12H2,1-4H3;5-6,9-11,17H,7-8H2,1-4H3,(H2,21,27);5-6,9-10,12,18,26H,7-8,11H2,1-4H3/t;;19-;20-;;/m..00../s1
InChIKeyQUZPHPPZTBIKMS-KWKLDHMXSA-N
MW2587.23 g/mol
LogP15.83
Rot. Bonds25

About ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol

ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol (PubChem CID 160526713) has the molecular formula C126H156N30O19S6 and a molecular weight of 2587.23 g/mol. Its IUPAC name is ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol.

Molecular Properties

Compound Nameethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol
PubChem CID160526713
Molecular FormulaC126H156N30O19S6
Molecular Weight2587.23 g/mol
Exact Mass2585.05
IUPAC Nameethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol
SMILESCC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C.CCOC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)nc1C.Cc1ccnc(N2CCn3c(cc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)n1.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(C)(C)O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(N)=O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1CO
InChIInChI=1S/C22H27N5O4S.C22H29N5O3S.C21H25N5O3S.C21H26N4O3S.C20H24N6O3S.C20H25N5O3S/c1-6-31-21(28)16-12-23-22(24-14(16)4)27-10-9-26-18-11-15(32(5,29)30)7-8-17(18)25-20(26)19(27)13(2)3;1-13(2)19-20-25-17-8-7-15(31(6,29)30)11-18(17)26(20)9-10-27(19)21-23-12-16(14(3)24-21)22(4,5)28;1-12(2)19-20-24-17-7-6-15(30(5,28)29)10-18(17)25(20)8-9-26(19)21-22-11-16(14(4)27)13(3)23-21;1-13(2)20-18-10-15-9-16(12-26)19(29(4,27)28)11-17(15)24(18)7-8-25(20)21-22-6-5-14(3)23-21;1-11(2)17-19-24-15-6-5-13(30(4,28)29)9-16(15)25(19)7-8-26(17)20-22-10-14(18(21)27)12(3)23-20;1-12(2)18-19-23-16-6-5-15(29(4,27)28)9-17(16)24(19)7-8-25(18)20-21-10-14(11-26)13(3)22-20/h7-8,11-13,19H,6,9-10H2,1-5H3;7-8,11-13,19,28H,9-10H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-6,9-11,13,20,26H,7-8,12H2,1-4H3;5-6,9-11,17H,7-8H2,1-4H3,(H2,21,27);5-6,9-10,12,18,26H,7-8,11H2,1-4H3/t;;19-;20-;;/m..00../s1
InChIKeyQUZPHPPZTBIKMS-KWKLDHMXSA-N
XLogP15.83
TPSA620.14 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002587.23
LogP ≤ 515.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol?
The IUPAC name of ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol (CID 160526713) is ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol.
What is the SMILES notation for ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol?
The canonical SMILES for ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol is CC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)[C@@H]2C(C)C)nc1C.CCOC(=O)c1cnc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)nc1C.Cc1ccnc(N2CCn3c(cc4cc(CO)c(S(C)(=O)=O)cc43)[C@@H]2C(C)C)n1.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(C)(C)O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1C(N)=O.Cc1nc(N2CCn3c(nc4ccc(S(C)(=O)=O)cc43)C2C(C)C)ncc1CO.
What is the InChIKey of ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol?
The InChIKey is QUZPHPPZTBIKMS-KWKLDHMXSA-N. The full InChI is InChI=1S/C22H27N5O4S.C22H29N5O3S.C21H25N5O3S.C21H26N4O3S.C20H24N6O3S.C20H25N5O3S/c1-6-31-21(28)16-12-23-22(24-14(16)4)27-10-9-26-18-11-15(32(5,29)30)7-8-17(18)25-20(26)19(27)13(2)3;1-13(2)19-20-25-17-8-7-15(31(6,29)30)11-18(17)26(20)9-10-27(19)21-23-12-16(14(3)24-21)22(4,5)28;1-12(2)19-20-24-17-7-6-15(30(5,28)29)10-18(17)25(20)8-9-26(19)21-22-11-16(14(4)27)13(3)23-21;1-13(2)20-18-10-15-9-16(12-26)19(29(4,27)28)11-17(15)24(18)7-8-25(20)21-22-6-5-14(3)23-21;1-11(2)17-19-24-15-6-5-13(30(4,28)29)9-16(15)25(19)7-8-26(17)20-22-10-14(18(21)27)12(3)23-20;1-12(2)18-19-23-16-6-5-15(29(4,27)28)9-17(16)24(19)7-8-25(18)20-21-10-14(11-26)13(3)22-20/h7-8,11-13,19H,6,9-10H2,1-5H3;7-8,11-13,19,28H,9-10H2,1-6H3;6-7,10-12,19H,8-9H2,1-5H3;5-6,9-11,13,20,26H,7-8,12H2,1-4H3;5-6,9-11,17H,7-8H2,1-4H3,(H2,21,27);5-6,9-10,12,18,26H,7-8,11H2,1-4H3/t;;19-;20-;;/m..00../s1.
What are the key properties of ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol?
ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol has a molecular weight of 2587.23 g/mol, XLogP of 15.83, 25 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxylate;4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidine-5-carboxamide;1-[4-methyl-2-[(1S)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]pyrimidin-5-yl]ethanone;[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]methanol;2-[4-methyl-2-(7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)pyrimidin-5-yl]propan-2-ol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl]methanol is sourced from PubChem (CID 160526713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).