3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C145H126Cl7F9N28O11 — CID 159704747

IUPAC3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCc1ccc2nc(C)c3cnc(-c4cc(OC(C)C(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCC(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCCC(F)(F)F)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(OC(C)C4CCOCC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCOC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCC4CCOC4)ccc3Cl)ncc12
InChIInChI=1S/C23H23ClN4O2.C22H21ClN4O2.C21H19ClN4O2.2C20H16ClF3N4O.C20H17ClN4O2.C19H14ClF3N4O/c1-14-21-13-26-22(28(21)23-20(27-14)4-3-9-25-23)18-12-17(5-6-19(18)24)30-15(2)16-7-10-29-11-8-16;1-13-3-6-19-22(25-13)27-20(14(2)26-19)12-24-21(27)17-11-16(4-5-18(17)23)29-15-7-9-28-10-8-15;1-13-19-10-24-20(26(19)21-18(25-13)3-2-7-23-21)16-9-15(4-5-17(16)22)28-12-14-6-8-27-11-14;1-10-4-7-16-19(26-10)28-17(11(2)27-16)9-25-18(28)14-8-13(5-6-15(14)21)29-12(3)20(22,23)24;1-11-3-6-16-19(26-11)28-17(12(2)27-16)10-25-18(28)14-9-13(4-5-15(14)21)29-8-7-20(22,23)24;1-12-18-10-23-19(25(18)20-17(24-12)3-2-7-22-20)15-9-13(4-5-16(15)21)27-14-6-8-26-11-14;1-10-3-6-15-18(25-10)27-16(11(2)26-15)8-24-17(27)13-7-12(4-5-14(13)20)28-9-19(21,22)23/h3-6,9,12-13,15-16H,7-8,10-11H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;2-5,7,9-10,14H,6,8,11-12H2,1H3;4-9,12H,1-3H3;3-6,9-10H,7-8H2,1-2H3;2-5,7,9-10,14H,6,8,11H2,1H3;3-8H,9H2,1-2H3
InChIKeyMYBJRWAAZKNGES-UHFFFAOYSA-N
MW2855.94 g/mol
LogP34.51
Rot. Bonds24

About 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 159704747) has the molecular formula C145H126Cl7F9N28O11 and a molecular weight of 2855.94 g/mol. Its IUPAC name is 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID159704747
Molecular FormulaC145H126Cl7F9N28O11
Molecular Weight2855.94 g/mol
Exact Mass2850.78
IUPAC Name3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCc1ccc2nc(C)c3cnc(-c4cc(OC(C)C(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCC(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCCC(F)(F)F)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(OC(C)C4CCOCC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCOC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCC4CCOC4)ccc3Cl)ncc12
InChIInChI=1S/C23H23ClN4O2.C22H21ClN4O2.C21H19ClN4O2.2C20H16ClF3N4O.C20H17ClN4O2.C19H14ClF3N4O/c1-14-21-13-26-22(28(21)23-20(27-14)4-3-9-25-23)18-12-17(5-6-19(18)24)30-15(2)16-7-10-29-11-8-16;1-13-3-6-19-22(25-13)27-20(14(2)26-19)12-24-21(27)17-11-16(4-5-18(17)23)29-15-7-9-28-10-8-15;1-13-19-10-24-20(26(19)21-18(25-13)3-2-7-23-21)16-9-15(4-5-17(16)22)28-12-14-6-8-27-11-14;1-10-4-7-16-19(26-10)28-17(11(2)27-16)9-25-18(28)14-8-13(5-6-15(14)21)29-12(3)20(22,23)24;1-11-3-6-16-19(26-11)28-17(12(2)27-16)10-25-18(28)14-9-13(4-5-15(14)21)29-8-7-20(22,23)24;1-12-18-10-23-19(25(18)20-17(24-12)3-2-7-22-20)15-9-13(4-5-16(15)21)27-14-6-8-26-11-14;1-10-3-6-15-18(25-10)27-16(11(2)26-15)8-24-17(27)13-7-12(4-5-14(13)20)28-9-19(21,22)23/h3-6,9,12-13,15-16H,7-8,10-11H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;2-5,7,9-10,14H,6,8,11-12H2,1H3;4-9,12H,1-3H3;3-6,9-10H,7-8H2,1-2H3;2-5,7,9-10,14H,6,8,11H2,1H3;3-8H,9H2,1-2H3
InChIKeyMYBJRWAAZKNGES-UHFFFAOYSA-N
XLogP34.51
TPSA403.09 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002855.94
LogP ≤ 534.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene with MolForge

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Related Compounds

3-[2-Chloro-5-(4,4-difluorocyclohexyl)oxyphenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 118241204
3-[2-Chloro-5-(4,4-difluorocyclohexyl)oxyphenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 118241209
3-[2-Chloro-5-[3-(trifluoromethoxy)propoxy]phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 118241222
1-bromo-3-[(1S)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[(1R)-1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1R)-1-[4-fluoro-5-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 157228094
1-Chloro-3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-fluoro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 157254381
3-(5-Butoxy-2-fluorophenyl)-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(4,4-difluorocyclohexyl)oxyphenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]-2-methylbutan-2-ol;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-1-ol;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 157428188
CID 157460584
CID 157460584
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157738751
CID 157771452
CID 157771452
N-(4-chlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;N-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;N-(4-methoxyphenyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-4-amine;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 157943811
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 157977837

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 159704747) is 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is Cc1ccc2nc(C)c3cnc(-c4cc(OC(C)C(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCC(F)(F)F)ccc4Cl)n3c2n1.Cc1ccc2nc(C)c3cnc(-c4cc(OCCC(F)(F)F)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(OC(C)C4CCOCC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCOC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCC4CCOC4)ccc3Cl)ncc12.
What is the InChIKey of 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is MYBJRWAAZKNGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2.C22H21ClN4O2.C21H19ClN4O2.2C20H16ClF3N4O.C20H17ClN4O2.C19H14ClF3N4O/c1-14-21-13-26-22(28(21)23-20(27-14)4-3-9-25-23)18-12-17(5-6-19(18)24)30-15(2)16-7-10-29-11-8-16;1-13-3-6-19-22(25-13)27-20(14(2)26-19)12-24-21(27)17-11-16(4-5-18(17)23)29-15-7-9-28-10-8-15;1-13-19-10-24-20(26(19)21-18(25-13)3-2-7-23-21)16-9-15(4-5-17(16)22)28-12-14-6-8-27-11-14;1-10-4-7-16-19(26-10)28-17(11(2)27-16)9-25-18(28)14-8-13(5-6-15(14)21)29-12(3)20(22,23)24;1-11-3-6-16-19(26-11)28-17(12(2)27-16)10-25-18(28)14-9-13(4-5-15(14)21)29-8-7-20(22,23)24;1-12-18-10-23-19(25(18)20-17(24-12)3-2-7-22-20)15-9-13(4-5-16(15)21)27-14-6-8-26-11-14;1-10-3-6-15-18(25-10)27-16(11(2)26-15)8-24-17(27)13-7-12(4-5-14(13)20)28-9-19(21,22)23/h3-6,9,12-13,15-16H,7-8,10-11H2,1-2H3;3-6,11-12,15H,7-10H2,1-2H3;2-5,7,9-10,14H,6,8,11-12H2,1H3;4-9,12H,1-3H3;3-6,9-10H,7-8H2,1-2H3;2-5,7,9-10,14H,6,8,11H2,1H3;3-8H,9H2,1-2H3.
What are the key properties of 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 2855.94 g/mol, XLogP of 34.51, 24 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[1-(oxan-4-yl)ethoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxan-4-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-ylmethoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(oxolan-3-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 159704747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).