2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine

C240H255N51O9S6 — CID 158035468

IUPAC2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)O5)nc4)nc(-c4ccc(C5=NCC(C)(C)O5)nc4)n3)cn2)O1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)n3)cn2)OC1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)n3)cn2)SC1(C)C
InChIInChI=1S/C58H61N11.C40H46N8O3.C40H46N8S3.2C34H34N8O3.C34H34N8S3/c1-53(2)56(7,8)67(41-22-16-13-17-23-41)50(64-53)44-31-28-38(35-59-44)47-34-48(39-29-32-45(60-36-39)51-65-54(3,4)57(9,10)68(51)42-24-18-14-19-25-42)63-49(62-47)40-30-33-46(61-37-40)52-66-55(5,6)58(11,12)69(52)43-26-20-15-21-27-43;2*1-35(2)38(7,8)49-32(46-35)26-16-13-23(20-41-26)29-19-30(24-14-17-27(42-21-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-18-28(43-22-25)34-48-37(5,6)40(11,12)51-34;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31;1-32(2)17-38-29(43-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-39-18-33(3,4)44-30)42-28(41-26)22-9-12-25(37-16-22)31-40-19-34(5,6)45-31;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31/h13-37H,1-12H3;2*13-22H,1-12H3;3*7-16H,17-19H2,1-6H3
InChIKeyFHRRMTORWADJRV-UHFFFAOYSA-N
MW4190.43 g/mol
LogP47.75
Rot. Bonds39

About 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine

2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine (PubChem CID 158035468) has the molecular formula C240H255N51O9S6 and a molecular weight of 4190.43 g/mol. Its IUPAC name is 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
PubChem CID158035468
Molecular FormulaC240H255N51O9S6
Molecular Weight4190.43 g/mol
Exact Mass4186.94
IUPAC Name2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine
SMILESCC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)O5)nc4)nc(-c4ccc(C5=NCC(C)(C)O5)nc4)n3)cn2)O1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)n3)cn2)OC1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)n3)cn2)SC1(C)C
InChIInChI=1S/C58H61N11.C40H46N8O3.C40H46N8S3.2C34H34N8O3.C34H34N8S3/c1-53(2)56(7,8)67(41-22-16-13-17-23-41)50(64-53)44-31-28-38(35-59-44)47-34-48(39-29-32-45(60-36-39)51-65-54(3,4)57(9,10)68(51)42-24-18-14-19-25-42)63-49(62-47)40-30-33-46(61-37-40)52-66-55(5,6)58(11,12)69(52)43-26-20-15-21-27-43;2*1-35(2)38(7,8)49-32(46-35)26-16-13-23(20-41-26)29-19-30(24-14-17-27(42-21-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-18-28(43-22-25)34-48-37(5,6)40(11,12)51-34;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31;1-32(2)17-38-29(43-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-39-18-33(3,4)44-30)42-28(41-26)22-9-12-25(37-16-22)31-40-19-34(5,6)45-31;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31/h13-37H,1-12H3;2*13-22H,1-12H3;3*7-16H,17-19H2,1-6H3
InChIKeyFHRRMTORWADJRV-UHFFFAOYSA-N
XLogP47.75
TPSA701.97 Ų
H-Bond Donors
H-Bond Acceptors66
Rotatable Bonds39
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004190.43
LogP ≤ 547.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1066

Analyze 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine (CID 158035468) is 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine is CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)O5)nc4)nc(-c4ccc(C5=NCC(C)(C)O5)nc4)n3)cn2)O1.CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)nc(-c4ccc(C5=NC(C)(C)CO5)nc4)n3)cn2)=N1.CC1(C)CSC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CS5)nc4)nc(-c4ccc(C5=NC(C)(C)CS5)nc4)n3)cn2)=N1.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)nc4)n3)cn2)N(c2ccccc2)C1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)O5)nc4)n3)cn2)OC1(C)C.CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)nc(-c4ccc(C5=NC(C)(C)C(C)(C)S5)nc4)n3)cn2)SC1(C)C.
What is the InChIKey of 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
The InChIKey is FHRRMTORWADJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N11.C40H46N8O3.C40H46N8S3.2C34H34N8O3.C34H34N8S3/c1-53(2)56(7,8)67(41-22-16-13-17-23-41)50(64-53)44-31-28-38(35-59-44)47-34-48(39-29-32-45(60-36-39)51-65-54(3,4)57(9,10)68(51)42-24-18-14-19-25-42)63-49(62-47)40-30-33-46(61-37-40)52-66-55(5,6)58(11,12)69(52)43-26-20-15-21-27-43;2*1-35(2)38(7,8)49-32(46-35)26-16-13-23(20-41-26)29-19-30(24-14-17-27(42-21-24)33-47-36(3,4)39(9,10)50-33)45-31(44-29)25-15-18-28(43-22-25)34-48-37(5,6)40(11,12)51-34;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31;1-32(2)17-38-29(43-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-39-18-33(3,4)44-30)42-28(41-26)22-9-12-25(37-16-22)31-40-19-34(5,6)45-31;1-32(2)17-43-29(40-32)23-10-7-20(14-35-23)26-13-27(21-8-11-24(36-15-21)30-41-33(3,4)18-44-30)39-28(38-26)22-9-12-25(37-16-22)31-42-34(5,6)19-45-31/h13-37H,1-12H3;2*13-22H,1-12H3;3*7-16H,17-19H2,1-6H3.
What are the key properties of 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine?
2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine has a molecular weight of 4190.43 g/mol, XLogP of 47.75, 39 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[2,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;2-[5-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[2,6-bis[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 158035468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).