N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)

C179H134FN29O6S2 — CID 159942818

IUPACN-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2nc(Cc3ccccc3)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4cnccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(Cc3ccccc3)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12
InChIInChI=1S/C31H21FN4OS.2C31H23N5O.C30H22N6O.C28H23N5O.C28H22N4OS/c1-30(16-31(17-33)23-11-5-4-9-21(23)26(30)22-10-6-14-34-27(22)31)28(37)36-29-35-25(15-38-29)20-12-13-24(32)19-8-3-2-7-18(19)20;2*1-30(17-31(18-32)24-14-5-4-11-22(24)26(30)23-13-7-15-33-27(23)31)28(37)36-29-34-16-25(35-29)21-12-6-9-19-8-2-3-10-20(19)21;1-29(16-30(17-31)23-10-3-2-7-21(23)25(29)22-9-5-12-33-26(22)30)27(37)36-28-34-15-24(35-28)20-8-4-6-18-14-32-13-11-19(18)20;1-27(25(34)33-26-31-15-19(32-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28;1-27(25(33)32-26-31-19(15-34-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28/h2-15,26H,16H2,1H3,(H,35,36,37);2*2-16,26H,17H2,1H3,(H2,34,35,36,37);2-15,25H,16H2,1H3,(H2,34,35,36,37);2-13,15,23H,14,16H2,1H3,(H2,31,32,33,34);2-13,15,23H,14,16H2,1H3,(H,31,32,33)
InChIKeyOBCGIQSONRJBCK-UHFFFAOYSA-N
MW2870.37 g/mol
LogP34.11
Rot. Bonds20

About N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)

N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) (PubChem CID 159942818) has the molecular formula C179H134FN29O6S2 and a molecular weight of 2870.37 g/mol. Its IUPAC name is N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide).

Molecular Properties

Compound NameN-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
PubChem CID159942818
Molecular FormulaC179H134FN29O6S2
Molecular Weight2870.37 g/mol
Exact Mass2868.05
IUPAC NameN-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2nc(Cc3ccccc3)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4cnccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(Cc3ccccc3)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12
InChIInChI=1S/C31H21FN4OS.2C31H23N5O.C30H22N6O.C28H23N5O.C28H22N4OS/c1-30(16-31(17-33)23-11-5-4-9-21(23)26(30)22-10-6-14-34-27(22)31)28(37)36-29-35-25(15-38-29)20-12-13-24(32)19-8-3-2-7-18(19)20;2*1-30(17-31(18-32)24-14-5-4-11-22(24)26(30)23-13-7-15-33-27(23)31)28(37)36-29-34-16-25(35-29)21-12-6-9-19-8-2-3-10-20(19)21;1-29(16-30(17-31)23-10-3-2-7-21(23)25(29)22-9-5-12-33-26(22)30)27(37)36-28-34-15-24(35-28)20-8-4-6-18-14-32-13-11-19(18)20;1-27(25(34)33-26-31-15-19(32-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28;1-27(25(33)32-26-31-19(15-34-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28/h2-15,26H,16H2,1H3,(H,35,36,37);2*2-16,26H,17H2,1H3,(H2,34,35,36,37);2-15,25H,16H2,1H3,(H2,34,35,36,37);2-13,15,23H,14,16H2,1H3,(H2,31,32,33,34);2-13,15,23H,14,16H2,1H3,(H,31,32,33)
InChIKeyOBCGIQSONRJBCK-UHFFFAOYSA-N
XLogP34.11
TPSA548.07 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002870.37
LogP ≤ 534.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?
The IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) (CID 159942818) is N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide).
What is the SMILES notation for N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?
The canonical SMILES for N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) is CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2nc(Cc3ccccc3)cs2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4ccccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(-c3cccc4cnccc34)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.CC1(C(=O)Nc2ncc(Cc3ccccc3)[nH]2)CC2(C#N)c3ccccc3C1c1cccnc12.
What is the InChIKey of N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?
The InChIKey is OBCGIQSONRJBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN4OS.2C31H23N5O.C30H22N6O.C28H23N5O.C28H22N4OS/c1-30(16-31(17-33)23-11-5-4-9-21(23)26(30)22-10-6-14-34-27(22)31)28(37)36-29-35-25(15-38-29)20-12-13-24(32)19-8-3-2-7-18(19)20;2*1-30(17-31(18-32)24-14-5-4-11-22(24)26(30)23-13-7-15-33-27(23)31)28(37)36-29-34-16-25(35-29)21-12-6-9-19-8-2-3-10-20(19)21;1-29(16-30(17-31)23-10-3-2-7-21(23)25(29)22-9-5-12-33-26(22)30)27(37)36-28-34-15-24(35-28)20-8-4-6-18-14-32-13-11-19(18)20;1-27(25(34)33-26-31-15-19(32-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28;1-27(25(33)32-26-31-19(15-34-26)14-18-8-3-2-4-9-18)16-28(17-29)22-12-6-5-10-20(22)23(27)21-11-7-13-30-24(21)28/h2-15,26H,16H2,1H3,(H,35,36,37);2*2-16,26H,17H2,1H3,(H2,34,35,36,37);2-15,25H,16H2,1H3,(H2,34,35,36,37);2-13,15,23H,14,16H2,1H3,(H2,31,32,33,34);2-13,15,23H,14,16H2,1H3,(H,31,32,33).
What are the key properties of N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide)?
N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) has a molecular weight of 2870.37 g/mol, XLogP of 34.11, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1H-imidazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-1-cyano-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;1-cyano-N-(5-isoquinolin-5-yl-1H-imidazol-2-yl)-16-methyl-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide;bis(1-cyano-16-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-3-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-16-carboxamide) is sourced from PubChem (CID 159942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).