14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

C138H190Cl7F6N47O8 — CID 160583190

IUPAC14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCOCCN1CCC(n2nc3c(c2C)Nc2ncc(Cl)c(n2)NC(C)CCO3)C(F)C1.Cc1c2c(nn1C1CC(N3CCCCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCC(C)CC1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1(F)F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1(F)F)OCCCNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CN(C3CCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2
InChIInChI=1S/C21H29ClFN7O.C21H30ClN7O.C20H26ClF2N7O.C20H29ClFN7O2.C19H26ClN7O.C19H27ClN6O.C18H23ClF2N6O/c1-12-7-9-31-20-18(26-21-24-10-15(22)19(25-12)27-21)13(2)30(28-20)17-6-8-29(11-16(17)23)14-4-3-5-14;1-13-6-9-30-20-18(25-21-23-12-17(22)19(24-13)26-21)14(2)29(27-20)16-10-15(11-16)28-7-4-3-5-8-28;1-12-16-18(31-9-3-7-24-17-14(21)10-25-19(26-16)27-17)28-30(12)15-6-8-29(11-20(15,22)23)13-4-2-5-13;1-12-5-8-31-19-17(25-20-23-10-14(21)18(24-12)26-20)13(2)29(27-19)16-4-6-28(7-9-30-3)11-15(16)22;1-11-6-7-28-18-16(23-19-21-8-15(20)17(22-11)24-19)12(2)27(25-18)14-9-26(10-14)13-4-3-5-13;1-11-4-6-14(7-5-11)26-13(3)16-18(25-26)27-9-8-12(2)22-17-15(20)10-21-19(23-16)24-17;1-10-6-8-28-16-14(24-17-22-9-12(19)15(23-10)25-17)11(2)27(26-16)13-5-3-4-7-18(13,20)21/h10,12,14,16-17H,3-9,11H2,1-2H3,(H2,24,25,26,27);12-13,15-16H,3-11H2,1-2H3,(H2,23,24,25,26);10,13,15H,2-9,11H2,1H3,(H2,24,25,26,27);10,12,15-16H,4-9,11H2,1-3H3,(H2,23,24,25,26);8,11,13-14H,3-7,9-10H2,1-2H3,(H2,21,22,23,24);10-12,14H,4-9H2,1-3H3,(H2,21,22,23,24);9-10,13H,3-8H2,1-2H3,(H2,22,23,24,25)
InChIKeyRCAZKVMXICZUAY-UHFFFAOYSA-N
MW2997.52 g/mol
LogP28.24
Rot. Bonds14

About 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 160583190) has the molecular formula C138H190Cl7F6N47O8 and a molecular weight of 2997.52 g/mol. Its IUPAC name is 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.

Molecular Properties

Compound Name14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
PubChem CID160583190
Molecular FormulaC138H190Cl7F6N47O8
Molecular Weight2997.52 g/mol
Exact Mass2992.36
IUPAC Name14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCOCCN1CCC(n2nc3c(c2C)Nc2ncc(Cl)c(n2)NC(C)CCO3)C(F)C1.Cc1c2c(nn1C1CC(N3CCCCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCC(C)CC1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1(F)F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1(F)F)OCCCNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CN(C3CCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2
InChIInChI=1S/C21H29ClFN7O.C21H30ClN7O.C20H26ClF2N7O.C20H29ClFN7O2.C19H26ClN7O.C19H27ClN6O.C18H23ClF2N6O/c1-12-7-9-31-20-18(26-21-24-10-15(22)19(25-12)27-21)13(2)30(28-20)17-6-8-29(11-16(17)23)14-4-3-5-14;1-13-6-9-30-20-18(25-21-23-12-17(22)19(24-13)26-21)14(2)29(27-20)16-10-15(11-16)28-7-4-3-5-8-28;1-12-16-18(31-9-3-7-24-17-14(21)10-25-19(26-16)27-17)28-30(12)15-6-8-29(11-20(15,22)23)13-4-2-5-13;1-12-5-8-31-19-17(25-20-23-10-14(21)18(24-12)26-20)13(2)29(27-19)16-4-6-28(7-9-30-3)11-15(16)22;1-11-6-7-28-18-16(23-19-21-8-15(20)17(22-11)24-19)12(2)27(25-18)14-9-26(10-14)13-4-3-5-13;1-11-4-6-14(7-5-11)26-13(3)16-18(25-26)27-9-8-12(2)22-17-15(20)10-21-19(23-16)24-17;1-10-6-8-28-16-14(24-17-22-9-12(19)15(23-10)25-17)11(2)27(26-16)13-5-3-4-7-18(13,20)21/h10,12,14,16-17H,3-9,11H2,1-2H3,(H2,24,25,26,27);12-13,15-16H,3-11H2,1-2H3,(H2,23,24,25,26);10,13,15H,2-9,11H2,1H3,(H2,24,25,26,27);10,12,15-16H,4-9,11H2,1-3H3,(H2,23,24,25,26);8,11,13-14H,3-7,9-10H2,1-2H3,(H2,21,22,23,24);10-12,14H,4-9H2,1-3H3,(H2,21,22,23,24);9-10,13H,3-8H2,1-2H3,(H2,22,23,24,25)
InChIKeyRCAZKVMXICZUAY-UHFFFAOYSA-N
XLogP28.24
TPSA563.66 Ų
H-Bond Donors14
H-Bond Acceptors55
Rotatable Bonds14
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002997.52
LogP ≤ 528.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1055

Analyze 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene with MolForge

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Launch Full Analysis

Related Compounds

5-[4-(2-Azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(1-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-5-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]-11-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-11-methyl-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4,14-dichloro-8-oxa-2,6,12,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 158245275
14-Chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 158361940
14-Chloro-5-cyclohexyl-11-(difluoromethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-10-methoxy-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(4-fluorooxan-3-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;5-cyclohexyl-14-isocyano-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 159107545
CID 157991375
CID 157991375
5-[4-(2-Azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;5-[4-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclobutyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(fluoromethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclopentyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 158656130
14-Chloro-5-cyclobutyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(fluoromethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclopentyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 158687002
14-Chloro-5-cyclobutyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;4-chloro-5-cyclohexyl-14-isocyano-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-methoxy-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-5-(oxan-3-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 159597664
14-Chloro-5-cyclohexyl-11-(difluoromethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-10-methoxy-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(4-fluorooxan-3-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;5-cyclohexyl-14-isocyano-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 159665825
5-[4-(2-Azabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-14-chloro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4-methyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;methane
CID 159818631
14-Bromo-5-cyclobutyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutylpiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-[1-(oxetan-3-yl)piperidin-3-yl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 160533156
14-Bromo-5-cyclohexyl-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-ethyl-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-10-fluoro-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-11-(methoxymethyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-cyclohexyl-4,10,11-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2-fluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 160918313
14-Chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutylpiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-[1-(oxetan-3-yl)piperidin-3-yl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 161322448

Frequently Asked Questions

What is the IUPAC name of 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 160583190) is 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is COCCN1CCC(n2nc3c(c2C)Nc2ncc(Cl)c(n2)NC(C)CCO3)C(F)C1.Cc1c2c(nn1C1CC(N3CCCCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCC(C)CC1)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCCCC1(F)F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1(F)F)OCCCNc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CCN(C3CCC3)CC1F)OCCC(C)Nc1nc(ncc1Cl)N2.Cc1c2c(nn1C1CN(C3CCC3)C1)OCCC(C)Nc1nc(ncc1Cl)N2.
What is the InChIKey of 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is RCAZKVMXICZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClFN7O.C21H30ClN7O.C20H26ClF2N7O.C20H29ClFN7O2.C19H26ClN7O.C19H27ClN6O.C18H23ClF2N6O/c1-12-7-9-31-20-18(26-21-24-10-15(22)19(25-12)27-21)13(2)30(28-20)17-6-8-29(11-16(17)23)14-4-3-5-14;1-13-6-9-30-20-18(25-21-23-12-17(22)19(24-13)26-21)14(2)29(27-20)16-10-15(11-16)28-7-4-3-5-8-28;1-12-16-18(31-9-3-7-24-17-14(21)10-25-19(26-16)27-17)28-30(12)15-6-8-29(11-20(15,22)23)13-4-2-5-13;1-12-5-8-31-19-17(25-20-23-10-14(21)18(24-12)26-20)13(2)29(27-19)16-4-6-28(7-9-30-3)11-15(16)22;1-11-6-7-28-18-16(23-19-21-8-15(20)17(22-11)24-19)12(2)27(25-18)14-9-26(10-14)13-4-3-5-13;1-11-4-6-14(7-5-11)26-13(3)16-18(25-26)27-9-8-12(2)22-17-15(20)10-21-19(23-16)24-17;1-10-6-8-28-16-14(24-17-22-9-12(19)15(23-10)25-17)11(2)27(26-16)13-5-3-4-7-18(13,20)21/h10,12,14,16-17H,3-9,11H2,1-2H3,(H2,24,25,26,27);12-13,15-16H,3-11H2,1-2H3,(H2,23,24,25,26);10,13,15H,2-9,11H2,1H3,(H2,24,25,26,27);10,12,15-16H,4-9,11H2,1-3H3,(H2,23,24,25,26);8,11,13-14H,3-7,9-10H2,1-2H3,(H2,21,22,23,24);10-12,14H,4-9H2,1-3H3,(H2,21,22,23,24);9-10,13H,3-8H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 2997.52 g/mol, XLogP of 28.24, 14 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-5-(1-cyclobutylazetidin-3-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3,3-difluoropiperidin-4-yl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(1-cyclobutyl-3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-(2,2-difluorocyclohexyl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(4-methylcyclohexyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-4,11-dimethyl-5-(3-piperidin-1-ylcyclobutyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;14-chloro-5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 160583190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).