2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole

C145H148FN21O16 — CID 159987045

IUPAC2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC(=O)c1cc2c(cn1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.COc1cc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2cn1.COc1ccc2c(n1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ncccc3F)C3CCOCC3)c2c1
InChIInChI=1S/C30H30N4O4.C30H32N4O3.C29H30FN5O3.2C28H28N4O3/c1-4-37-30(35)24-15-25-23(17-31-24)28-26(14-22(16-32-28)27-18(2)33-38-19(27)3)34(25)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-18-26(19(2)37-33-18)22-16-24-27(31-17-22)23-10-11-25(30(3,4)35)32-29(23)34(24)28(20-8-6-5-7-9-20)21-12-14-36-15-13-21;1-16-24(17(2)38-34-16)19-14-22-25(32-15-19)20-7-8-23(29(3,4)36)33-28(20)35(22)27(18-9-12-37-13-10-18)26-21(30)6-5-11-31-26;1-17-26(18(2)35-31-17)21-13-23-27(30-15-21)22-14-25(33-3)29-16-24(22)32(23)28(19-7-5-4-6-8-19)20-9-11-34-12-10-20;1-17-25(18(2)35-31-17)21-15-23-26(29-16-21)27-22(9-10-24(30-27)33-3)32(23)28(19-7-5-4-6-8-19)20-11-13-34-14-12-20/h5-9,14-17,21,29H,4,10-13H2,1-3H3;5-11,16-17,21,28,35H,12-15H2,1-4H3;5-8,11,14-15,18,27,36H,9-10,12-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3;4-10,15-16,20,28H,11-14H2,1-3H3
InChIKeyOGLVVVSAZAKOSS-UHFFFAOYSA-N
MW2459.91 g/mol
LogP29.54
Rot. Bonds26

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159987045) has the molecular formula C145H148FN21O16 and a molecular weight of 2459.91 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159987045
Molecular FormulaC145H148FN21O16
Molecular Weight2459.91 g/mol
Exact Mass2458.14
IUPAC Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC(=O)c1cc2c(cn1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.COc1cc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2cn1.COc1ccc2c(n1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ncccc3F)C3CCOCC3)c2c1
InChIInChI=1S/C30H30N4O4.C30H32N4O3.C29H30FN5O3.2C28H28N4O3/c1-4-37-30(35)24-15-25-23(17-31-24)28-26(14-22(16-32-28)27-18(2)33-38-19(27)3)34(25)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-18-26(19(2)37-33-18)22-16-24-27(31-17-22)23-10-11-25(30(3,4)35)32-29(23)34(24)28(20-8-6-5-7-9-20)21-12-14-36-15-13-21;1-16-24(17(2)38-34-16)19-14-22-25(32-15-19)20-7-8-23(29(3,4)36)33-28(20)35(22)27(18-9-12-37-13-10-18)26-21(30)6-5-11-31-26;1-17-26(18(2)35-31-17)21-13-23-27(30-15-21)22-14-25(33-3)29-16-24(22)32(23)28(19-7-5-4-6-8-19)20-9-11-34-12-10-20;1-17-25(18(2)35-31-17)21-15-23-26(29-16-21)27-22(9-10-24(30-27)33-3)32(23)28(19-7-5-4-6-8-19)20-11-13-34-14-12-20/h5-9,14-17,21,29H,4,10-13H2,1-3H3;5-11,16-17,21,28,35H,12-15H2,1-4H3;5-8,11,14-15,18,27,36H,9-10,12-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3;4-10,15-16,20,28H,11-14H2,1-3H3
InChIKeyOGLVVVSAZAKOSS-UHFFFAOYSA-N
XLogP29.54
TPSA427.96 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.91
LogP ≤ 529.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole (CID 159987045) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole is CCOC(=O)c1cc2c(cn1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.COc1cc2c3ncc(-c4c(C)noc4C)cc3n(C(c3ccccc3)C3CCOCC3)c2cn1.COc1ccc2c(n1)c1ncc(-c3c(C)noc3C)cc1n2C(c1ccccc1)C1CCOCC1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ccccc3)C3CCOCC3)c2c1.Cc1noc(C)c1-c1cnc2c3ccc(C(C)(C)O)nc3n(C(c3ncccc3F)C3CCOCC3)c2c1.
What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OGLVVVSAZAKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4.C30H32N4O3.C29H30FN5O3.2C28H28N4O3/c1-4-37-30(35)24-15-25-23(17-31-24)28-26(14-22(16-32-28)27-18(2)33-38-19(27)3)34(25)29(20-8-6-5-7-9-20)21-10-12-36-13-11-21;1-18-26(19(2)37-33-18)22-16-24-27(31-17-22)23-10-11-25(30(3,4)35)32-29(23)34(24)28(20-8-6-5-7-9-20)21-12-14-36-15-13-21;1-16-24(17(2)38-34-16)19-14-22-25(32-15-19)20-7-8-23(29(3,4)36)33-28(20)35(22)27(18-9-12-37-13-10-18)26-21(30)6-5-11-31-26;1-17-26(18(2)35-31-17)21-13-23-27(30-15-21)22-14-25(33-3)29-16-24(22)32(23)28(19-7-5-4-6-8-19)20-9-11-34-12-10-20;1-17-25(18(2)35-31-17)21-15-23-26(29-16-21)27-22(9-10-24(30-27)33-3)32(23)28(19-7-5-4-6-8-19)20-11-13-34-14-12-20/h5-9,14-17,21,29H,4,10-13H2,1-3H3;5-11,16-17,21,28,35H,12-15H2,1-4H3;5-8,11,14-15,18,27,36H,9-10,12-13H2,1-4H3;4-8,13-16,20,28H,9-12H2,1-3H3;4-10,15-16,20,28H,11-14H2,1-3H3.
What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole?
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2459.91 g/mol, XLogP of 29.54, 26 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-11-carboxylate;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole;4-[12-methoxy-8-[oxan-4-yl(phenyl)methyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159987045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).