N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C177H158ClN31O9S5 — CID 161432275

IUPACN-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1cnnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1ccnc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)c6ccccc6C4n4ccnc45)n3)c2)cc1Cl
InChIInChI=1S/C33H28ClN5O3S.2C31H27N5OS.C30H26N6OS.C26H25N5O2S.C26H25N5O/c1-32-18-33(2,27(39-14-13-35-29(32)39)22-9-4-5-10-23(22)32)30(41)38-31-37-25(17-43-31)19-7-6-8-20(15-19)28(40)36-21-11-12-26(42-3)24(34)16-21;2*1-30-19-31(2,26(36-16-15-33-27(30)36)24-5-3-4-6-25(24)30)28(37)35-29-34-23(18-38-29)17-20-7-9-21(10-8-20)22-11-13-32-14-12-22;1-29-17-30(2,25(36-18-32-35-26(29)36)23-5-3-4-6-24(23)29)27(37)34-28-33-22(16-38-28)15-19-7-9-20(10-8-19)21-11-13-31-14-12-21;1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16;1-25-16-26(2,21(31-13-12-27-22(25)31)19-10-6-7-11-20(19)25)23(32)30-24-28-15-18(29-24)14-17-8-4-3-5-9-17/h4-17,27H,18H2,1-3H3,(H,36,40)(H,37,38,41);2*3-16,18,26H,17,19H2,1-2H3,(H,34,35,37);3-14,16,18,25H,15,17H2,1-2H3,(H,33,34,37);4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32);3-13,15,21H,14,16H2,1-2H3,(H2,28,29,30,32)
InChIKeyVYEIENREFKYYCN-UHFFFAOYSA-N
MW3059.21 g/mol
LogP34.37
Rot. Bonds30

About N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 161432275) has the molecular formula C177H158ClN31O9S5 and a molecular weight of 3059.21 g/mol. Its IUPAC name is N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
PubChem CID161432275
Molecular FormulaC177H158ClN31O9S5
Molecular Weight3059.21 g/mol
Exact Mass3056.12
IUPAC NameN-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
SMILESCC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1cnnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1ccnc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)c6ccccc6C4n4ccnc45)n3)c2)cc1Cl
InChIInChI=1S/C33H28ClN5O3S.2C31H27N5OS.C30H26N6OS.C26H25N5O2S.C26H25N5O/c1-32-18-33(2,27(39-14-13-35-29(32)39)22-9-4-5-10-23(22)32)30(41)38-31-37-25(17-43-31)19-7-6-8-20(15-19)28(40)36-21-11-12-26(42-3)24(34)16-21;2*1-30-19-31(2,26(36-16-15-33-27(30)36)24-5-3-4-6-25(24)30)28(37)35-29-34-23(18-38-29)17-20-7-9-21(10-8-20)22-11-13-32-14-12-22;1-29-17-30(2,25(36-18-32-35-26(29)36)23-5-3-4-6-24(23)29)27(37)34-28-33-22(16-38-28)15-19-7-9-20(10-8-19)21-11-13-31-14-12-21;1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16;1-25-16-26(2,21(31-13-12-27-22(25)31)19-10-6-7-11-20(19)25)23(32)30-24-28-15-18(29-24)14-17-8-4-3-5-9-17/h4-17,27H,18H2,1-3H3,(H,36,40)(H,37,38,41);2*3-16,18,26H,17,19H2,1-2H3,(H,34,35,37);3-14,16,18,25H,15,17H2,1-2H3,(H,33,34,37);4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32);3-13,15,21H,14,16H2,1-2H3,(H2,28,29,30,32)
InChIKeyVYEIENREFKYYCN-UHFFFAOYSA-N
XLogP34.37
TPSA486.66 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003059.21
LogP ≤ 534.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 11650190
N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;5-bromo-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 157631088
N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 158868031
N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-4,9,12-trimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-6,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 159752316
9-benzyl-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-(4-benzyl-1,3-thiazol-2-yl)-9-ethyl-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-9,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);9-ethyl-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;9-ethyl-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 160309166
N-[5-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1H-imidazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-(5-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(12-methyl-N-(5-naphthalen-1-yl-1H-imidazol-2-yl)-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide)
CID 161204645
N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
CID 161420353
CID 161460181
CID 161460181
N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 161682554

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The IUPAC name of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 161432275) is N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.
What is the SMILES notation for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The canonical SMILES for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1ccnc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)n1cnnc12.CC12CC(C)(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)C(c3ccccc31)n1ccnc12.COc1ccc(Cc2csc(NC(=O)C3(C)CC4(C)c5ccccc5C3n3cnnc34)n2)cc1.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)c6ccccc6C4n4ccnc45)n3)c2)cc1Cl.
What is the InChIKey of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
The InChIKey is VYEIENREFKYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN5O3S.2C31H27N5OS.C30H26N6OS.C26H25N5O2S.C26H25N5O/c1-32-18-33(2,27(39-14-13-35-29(32)39)22-9-4-5-10-23(22)32)30(41)38-31-37-25(17-43-31)19-7-6-8-20(15-19)28(40)36-21-11-12-26(42-3)24(34)16-21;2*1-30-19-31(2,26(36-16-15-33-27(30)36)24-5-3-4-6-25(24)30)28(37)35-29-34-23(18-38-29)17-20-7-9-21(10-8-20)22-11-13-32-14-12-22;1-29-17-30(2,25(36-18-32-35-26(29)36)23-5-3-4-6-24(23)29)27(37)34-28-33-22(16-38-28)15-19-7-9-20(10-8-19)21-11-13-31-14-12-21;1-25-14-26(2,21(31-15-27-30-22(25)31)19-6-4-5-7-20(19)25)23(32)29-24-28-17(13-34-24)12-16-8-10-18(33-3)11-9-16;1-25-16-26(2,21(31-13-12-27-22(25)31)19-10-6-7-11-20(19)25)23(32)30-24-28-15-18(29-24)14-17-8-4-3-5-9-17/h4-17,27H,18H2,1-3H3,(H,36,40)(H,37,38,41);2*3-16,18,26H,17,19H2,1-2H3,(H,34,35,37);3-14,16,18,25H,15,17H2,1-2H3,(H,33,34,37);4-11,13,15,21H,12,14H2,1-3H3,(H,28,29,32);3-13,15,21H,14,16H2,1-2H3,(H2,28,29,30,32).
What are the key properties of N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?
N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 3059.21 g/mol, XLogP of 34.37, 30 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1H-imidazol-2-yl)-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;bis(1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide);1,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide;N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 161432275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).