3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine

C157H203F6N37O8 — CID 159422371

IUPAC3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
SMILESCCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1.CCCOc1cc(OCCC)nc(-c2nc(CO)c(-c3nc(C)cc(C)n3)nc2CCC)n1.CCCOc1cc(OCCC)nc(-c2nnc(-c3nc(C)cc(C)n3)c(CO)c2OC)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)c2)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1
InChIInChI=1S/C35H47N7.C34H46N8.C26H36N6.C24H32N6O3.C22H28N6O4.C16H14F6N4O/c1-7-13-25-21-36-28(16-10-4)33(39-25)24-19-31(34-29(17-11-5)37-22-26(40-34)14-8-2)42-32(20-24)35-30(18-12-6)38-23-27(41-35)15-9-3;1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3;1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26;1-6-9-17-21(24-29-19(32-10-7-2)13-20(30-24)33-11-8-3)28-18(14-31)22(27-17)23-25-15(4)12-16(5)26-23;1-6-8-31-16-11-17(32-9-7-2)26-22(25-16)19-20(30-5)15(12-29)18(27-28-19)21-23-13(3)10-14(4)24-21;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h19-23H,7-18H2,1-6H3;19-22H,7-18H2,1-6H3;15-18H,5-14H2,1-4H3;12-13,31H,6-11,14H2,1-5H3;10-11,29H,6-9,12H2,1-5H3;1-2,7-9,12H,3-6H2
InChIKeyLPXRHOXCRBWKOR-UHFFFAOYSA-N
MW2850.59 g/mol
LogP33.06
Rot. Bonds66

About 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine

3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine (PubChem CID 159422371) has the molecular formula C157H203F6N37O8 and a molecular weight of 2850.59 g/mol. Its IUPAC name is 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine.

Molecular Properties

Compound Name3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
PubChem CID159422371
Molecular FormulaC157H203F6N37O8
Molecular Weight2850.59 g/mol
Exact Mass2848.65
IUPAC Name3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
SMILESCCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1.CCCOc1cc(OCCC)nc(-c2nc(CO)c(-c3nc(C)cc(C)n3)nc2CCC)n1.CCCOc1cc(OCCC)nc(-c2nnc(-c3nc(C)cc(C)n3)c(CO)c2OC)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)c2)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1
InChIInChI=1S/C35H47N7.C34H46N8.C26H36N6.C24H32N6O3.C22H28N6O4.C16H14F6N4O/c1-7-13-25-21-36-28(16-10-4)33(39-25)24-19-31(34-29(17-11-5)37-22-26(40-34)14-8-2)42-32(20-24)35-30(18-12-6)38-23-27(41-35)15-9-3;1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3;1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26;1-6-9-17-21(24-29-19(32-10-7-2)13-20(30-24)33-11-8-3)28-18(14-31)22(27-17)23-25-15(4)12-16(5)26-23;1-6-8-31-16-11-17(32-9-7-2)26-22(25-16)19-20(30-5)15(12-29)18(27-28-19)21-23-13(3)10-14(4)24-21;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h19-23H,7-18H2,1-6H3;19-22H,7-18H2,1-6H3;15-18H,5-14H2,1-4H3;12-13,31H,6-11,14H2,1-5H3;10-11,29H,6-9,12H2,1-5H3;1-2,7-9,12H,3-6H2
InChIKeyLPXRHOXCRBWKOR-UHFFFAOYSA-N
XLogP33.06
TPSA563.12 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds66
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.59
LogP ≤ 533.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The IUPAC name of 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine (CID 159422371) is 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine.
What is the SMILES notation for 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The canonical SMILES for 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine is CCCCCCc1nc(-c2ncc(C)cn2)c(CCCCCC)nc1-c1ncc(C)cn1.CCCOc1cc(OCCC)nc(-c2nc(CO)c(-c3nc(C)cc(C)n3)nc2CCC)n1.CCCOc1cc(OCCC)nc(-c2nnc(-c3nc(C)cc(C)n3)c(CO)c2OC)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)c2)n1.CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1.FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)cnn3)CC2)nc1.
What is the InChIKey of 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The InChIKey is LPXRHOXCRBWKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N7.C34H46N8.C26H36N6.C24H32N6O3.C22H28N6O4.C16H14F6N4O/c1-7-13-25-21-36-28(16-10-4)33(39-25)24-19-31(34-29(17-11-5)37-22-26(40-34)14-8-2)42-32(20-24)35-30(18-12-6)38-23-27(41-35)15-9-3;1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3;1-5-7-9-11-13-21-23(25-27-15-19(3)16-28-25)32-22(14-12-10-8-6-2)24(31-21)26-29-17-20(4)18-30-26;1-6-9-17-21(24-29-19(32-10-7-2)13-20(30-24)33-11-8-3)28-18(14-31)22(27-17)23-25-15(4)12-16(5)26-23;1-6-8-31-16-11-17(32-9-7-2)26-22(25-16)19-20(30-5)15(12-29)18(27-28-19)21-23-13(3)10-14(4)24-21;17-15(18,19)10-1-2-13(23-8-10)26-5-3-12(4-6-26)27-14-7-11(9-24-25-14)16(20,21)22/h19-23H,7-18H2,1-6H3;19-22H,7-18H2,1-6H3;15-18H,5-14H2,1-4H3;12-13,31H,6-11,14H2,1-5H3;10-11,29H,6-9,12H2,1-5H3;1-2,7-9,12H,3-6H2.
What are the key properties of 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine has a molecular weight of 2850.59 g/mol, XLogP of 33.06, 66 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(3,6-dipropylpyrazin-2-yl)-4-pyridinyl]-2,5-dipropylpyrazine;2,5-dihexyl-3,6-bis(5-methylpyrimidin-2-yl)pyrazine;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-methoxypyridazin-4-yl]methanol;[3-(4,6-dimethylpyrimidin-2-yl)-6-(4,6-dipropoxypyrimidin-2-yl)-5-propylpyrazin-2-yl]methanol;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine;2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine is sourced from PubChem (CID 159422371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).