3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole

C117H111F3N38O8 — CID 158288839

IUPAC3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ncn3c2Cc2c(Cc4ccccn4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cc2c(Cc4cccnc4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cn2c(COCc4ccccn4)nnc2-c2cc(F)ccc2-3)no1.Cc1ccc2c(c1)-c1nnc(COC3CC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2.Cc1ccc2c(c1)-c1nnc(COC3CCCCC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2
InChIInChI=1S/C25H29N7O2.C24H21FN8O2.2C23H19FN8O.C22H23N7O2/c1-15(2)25-27-23(30-34-25)22-20-12-31-21(13-33-17-7-5-4-6-8-17)28-29-24(31)18-11-16(3)9-10-19(18)32(20)14-26-22;1-14(2)24-28-22(31-35-24)21-19-10-32-20(12-34-11-16-5-3-4-8-26-16)29-30-23(32)17-9-15(25)6-7-18(17)33(19)13-27-21;1-13(2)23-27-22(29-33-23)21-20-10-18-16(8-14-4-3-7-25-11-14)28-30-32(18)19-9-15(24)5-6-17(19)31(20)12-26-21;1-13(2)23-27-22(29-33-23)21-20-11-18-16(10-15-5-3-4-8-25-15)28-30-32(18)19-9-14(24)6-7-17(19)31(20)12-26-21;1-12(2)22-24-20(27-31-22)19-17-9-28-18(10-30-14-5-6-14)25-26-21(28)15-8-13(3)4-7-16(15)29(17)11-23-19/h9-11,14-15,17H,4-8,12-13H2,1-3H3;3-9,13-14H,10-12H2,1-2H3;3-7,9,11-13H,8,10H2,1-2H3;3-9,12-13H,10-11H2,1-2H3;4,7-8,11-12,14H,5-6,9-10H2,1-3H3
InChIKeyGLCOEQYOSLVTRN-UHFFFAOYSA-N
MW2234.43 g/mol
LogP19.70
Rot. Bonds24

About 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 158288839) has the molecular formula C117H111F3N38O8 and a molecular weight of 2234.43 g/mol. Its IUPAC name is 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID158288839
Molecular FormulaC117H111F3N38O8
Molecular Weight2234.43 g/mol
Exact Mass2232.94
IUPAC Name3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ncn3c2Cc2c(Cc4ccccn4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cc2c(Cc4cccnc4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cn2c(COCc4ccccn4)nnc2-c2cc(F)ccc2-3)no1.Cc1ccc2c(c1)-c1nnc(COC3CC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2.Cc1ccc2c(c1)-c1nnc(COC3CCCCC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2
InChIInChI=1S/C25H29N7O2.C24H21FN8O2.2C23H19FN8O.C22H23N7O2/c1-15(2)25-27-23(30-34-25)22-20-12-31-21(13-33-17-7-5-4-6-8-17)28-29-24(31)18-11-16(3)9-10-19(18)32(20)14-26-22;1-14(2)24-28-22(31-35-24)21-19-10-32-20(12-34-11-16-5-3-4-8-26-16)29-30-23(32)17-9-15(25)6-7-18(17)33(19)13-27-21;1-13(2)23-27-22(29-33-23)21-20-10-18-16(8-14-4-3-7-25-11-14)28-30-32(18)19-9-15(24)5-6-17(19)31(20)12-26-21;1-13(2)23-27-22(29-33-23)21-20-11-18-16(10-15-5-3-4-8-25-15)28-30-32(18)19-9-14(24)6-7-17(19)31(20)12-26-21;1-12(2)22-24-20(27-31-22)19-17-9-28-18(10-30-14-5-6-14)25-26-21(28)15-8-13(3)4-7-16(15)29(17)11-23-19/h9-11,14-15,17H,4-8,12-13H2,1-3H3;3-9,13-14H,10-12H2,1-2H3;3-7,9,11-13H,8,10H2,1-2H3;3-9,12-13H,10-11H2,1-2H3;4,7-8,11-12,14H,5-6,9-10H2,1-3H3
InChIKeyGLCOEQYOSLVTRN-UHFFFAOYSA-N
XLogP19.70
TPSA503.61 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.43
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole 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 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 158288839) is 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(-c2ncn3c2Cc2c(Cc4ccccn4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cc2c(Cc4cccnc4)nnn2-c2cc(F)ccc2-3)no1.CC(C)c1nc(-c2ncn3c2Cn2c(COCc4ccccn4)nnc2-c2cc(F)ccc2-3)no1.Cc1ccc2c(c1)-c1nnc(COC3CC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2.Cc1ccc2c(c1)-c1nnc(COC3CCCCC3)n1Cc1c(-c3noc(C(C)C)n3)ncn1-2.
What is the InChIKey of 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GLCOEQYOSLVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C24H21FN8O2.2C23H19FN8O.C22H23N7O2/c1-15(2)25-27-23(30-34-25)22-20-12-31-21(13-33-17-7-5-4-6-8-17)28-29-24(31)18-11-16(3)9-10-19(18)32(20)14-26-22;1-14(2)24-28-22(31-35-24)21-19-10-32-20(12-34-11-16-5-3-4-8-26-16)29-30-23(32)17-9-15(25)6-7-18(17)33(19)13-27-21;1-13(2)23-27-22(29-33-23)21-20-10-18-16(8-14-4-3-7-25-11-14)28-30-32(18)19-9-15(24)5-6-17(19)31(20)12-26-21;1-13(2)23-27-22(29-33-23)21-20-11-18-16(10-15-5-3-4-8-25-15)28-30-32(18)19-9-14(24)6-7-17(19)31(20)12-26-21;1-12(2)22-24-20(27-31-22)19-17-9-28-18(10-30-14-5-6-14)25-26-21(28)15-8-13(3)4-7-16(15)29(17)11-23-19/h9-11,14-15,17H,4-8,12-13H2,1-3H3;3-9,13-14H,10-12H2,1-2H3;3-7,9,11-13H,8,10H2,1-2H3;3-9,12-13H,10-11H2,1-2H3;4,7-8,11-12,14H,5-6,9-10H2,1-3H3.
What are the key properties of 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 2234.43 g/mol, XLogP of 19.70, 24 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(cyclohexyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[9-(cyclopropyloxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[15-fluoro-9-(pyridin-2-ylmethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole;3-[16-fluoro-5-(pyridin-3-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158288839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).