(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

C147H146Cl2N32O9 — CID 159705904

IUPAC(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Cl)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-n4cncn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.COc1ccc(Cn2cc3c(c2)N2C(=N[C@@H]4CCC[C@@H]42)N(C)C3=O)cc1.COc1ccc(Cn2cc3c(c2Cl)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1.COc1ccc(Cn2cc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1
InChIInChI=1S/C30H28N6O.C27H26N8O.C26H27N5O2.C24H22ClN5O.C20H21ClN4O2.C20H22N4O2/c1-34-29(37)27-26(36-25-12-7-11-24(25)33-30(34)36)19-35(28(27)32-22-8-3-2-4-9-22)18-20-13-15-21(16-14-20)23-10-5-6-17-31-23;1-32-26(36)24-23(35-22-9-5-8-21(22)31-27(32)35)15-33(25(24)30-19-6-3-2-4-7-19)14-18-10-12-20(13-11-18)34-17-28-16-29-34;1-29-25(32)23-22(31-21-10-6-9-20(21)28-26(29)31)16-30(15-17-11-13-19(33-2)14-12-17)24(23)27-18-7-4-3-5-8-18;1-28-23(31)21-20(30-19-7-4-6-18(19)27-24(28)30)14-29(22(21)25)13-15-8-10-16(11-9-15)17-5-2-3-12-26-17;1-23-19(26)17-16(25-15-5-3-4-14(15)22-20(23)25)11-24(18(17)21)10-12-6-8-13(27-2)9-7-12;1-22-19(25)15-11-23(10-13-6-8-14(26-2)9-7-13)12-18(15)24-17-5-3-4-16(17)21-20(22)24/h2-6,8-10,13-17,19,24-25,32H,7,11-12,18H2,1H3;2-4,6-7,10-13,15-17,21-22,30H,5,8-9,14H2,1H3;3-5,7-8,11-14,16,20-21,27H,6,9-10,15H2,1-2H3;2-3,5,8-12,14,18-19H,4,6-7,13H2,1H3;6-9,11,14-15H,3-5,10H2,1-2H3;6-9,11-12,16-17H,3-5,10H2,1-2H3/t24-,25+;21-,22+;20-,21+;18-,19+;14-,15+;16-,17+/m111111/s1
InChIKeyMYEYSNNTUXBZRU-HXXIDHAWSA-N
MW2575.91 g/mol
LogP24.58
Rot. Bonds24

About (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one (PubChem CID 159705904) has the molecular formula C147H146Cl2N32O9 and a molecular weight of 2575.91 g/mol. Its IUPAC name is (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one.

Molecular Properties

Compound Name(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
PubChem CID159705904
Molecular FormulaC147H146Cl2N32O9
Molecular Weight2575.91 g/mol
Exact Mass2573.13
IUPAC Name(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Cl)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-n4cncn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.COc1ccc(Cn2cc3c(c2)N2C(=N[C@@H]4CCC[C@@H]42)N(C)C3=O)cc1.COc1ccc(Cn2cc3c(c2Cl)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1.COc1ccc(Cn2cc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1
InChIInChI=1S/C30H28N6O.C27H26N8O.C26H27N5O2.C24H22ClN5O.C20H21ClN4O2.C20H22N4O2/c1-34-29(37)27-26(36-25-12-7-11-24(25)33-30(34)36)19-35(28(27)32-22-8-3-2-4-9-22)18-20-13-15-21(16-14-20)23-10-5-6-17-31-23;1-32-26(36)24-23(35-22-9-5-8-21(22)31-27(32)35)15-33(25(24)30-19-6-3-2-4-7-19)14-18-10-12-20(13-11-18)34-17-28-16-29-34;1-29-25(32)23-22(31-21-10-6-9-20(21)28-26(29)31)16-30(15-17-11-13-19(33-2)14-12-17)24(23)27-18-7-4-3-5-8-18;1-28-23(31)21-20(30-19-7-4-6-18(19)27-24(28)30)14-29(22(21)25)13-15-8-10-16(11-9-15)17-5-2-3-12-26-17;1-23-19(26)17-16(25-15-5-3-4-14(15)22-20(23)25)11-24(18(17)21)10-12-6-8-13(27-2)9-7-12;1-22-19(25)15-11-23(10-13-6-8-14(26-2)9-7-13)12-18(15)24-17-5-3-4-16(17)21-20(22)24/h2-6,8-10,13-17,19,24-25,32H,7,11-12,18H2,1H3;2-4,6-7,10-13,15-17,21-22,30H,5,8-9,14H2,1H3;3-5,7-8,11-14,16,20-21,27H,6,9-10,15H2,1-2H3;2-3,5,8-12,14,18-19H,4,6-7,13H2,1H3;6-9,11,14-15H,3-5,10H2,1-2H3;6-9,11-12,16-17H,3-5,10H2,1-2H3/t24-,25+;21-,22+;20-,21+;18-,19+;14-,15+;16-,17+/m111111/s1
InChIKeyMYEYSNNTUXBZRU-HXXIDHAWSA-N
XLogP24.58
TPSA365.31 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002575.91
LogP ≤ 524.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The IUPAC name of (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one (CID 159705904) is (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one.
What is the SMILES notation for (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The canonical SMILES for (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one is CN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Cl)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(cn(Cc3ccc(-n4cncn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.COc1ccc(Cn2cc3c(c2)N2C(=N[C@@H]4CCC[C@@H]42)N(C)C3=O)cc1.COc1ccc(Cn2cc3c(c2Cl)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1.COc1ccc(Cn2cc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1.
What is the InChIKey of (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The InChIKey is MYEYSNNTUXBZRU-HXXIDHAWSA-N. The full InChI is InChI=1S/C30H28N6O.C27H26N8O.C26H27N5O2.C24H22ClN5O.C20H21ClN4O2.C20H22N4O2/c1-34-29(37)27-26(36-25-12-7-11-24(25)33-30(34)36)19-35(28(27)32-22-8-3-2-4-9-22)18-20-13-15-21(16-14-20)23-10-5-6-17-31-23;1-32-26(36)24-23(35-22-9-5-8-21(22)31-27(32)35)15-33(25(24)30-19-6-3-2-4-7-19)14-18-10-12-20(13-11-18)34-17-28-16-29-34;1-29-25(32)23-22(31-21-10-6-9-20(21)28-26(29)31)16-30(15-17-11-13-19(33-2)14-12-17)24(23)27-18-7-4-3-5-8-18;1-28-23(31)21-20(30-19-7-4-6-18(19)27-24(28)30)14-29(22(21)25)13-15-8-10-16(11-9-15)17-5-2-3-12-26-17;1-23-19(26)17-16(25-15-5-3-4-14(15)22-20(23)25)11-24(18(17)21)10-12-6-8-13(27-2)9-7-12;1-22-19(25)15-11-23(10-13-6-8-14(26-2)9-7-13)12-18(15)24-17-5-3-4-16(17)21-20(22)24/h2-6,8-10,13-17,19,24-25,32H,7,11-12,18H2,1H3;2-4,6-7,10-13,15-17,21-22,30H,5,8-9,14H2,1H3;3-5,7-8,11-14,16,20-21,27H,6,9-10,15H2,1-2H3;2-3,5,8-12,14,18-19H,4,6-7,13H2,1H3;6-9,11,14-15H,3-5,10H2,1-2H3;6-9,11-12,16-17H,3-5,10H2,1-2H3/t24-,25+;21-,22+;20-,21+;18-,19+;14-,15+;16-,17+/m111111/s1.
What are the key properties of (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
(11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one has a molecular weight of 2575.91 g/mol, XLogP of 24.58, 24 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S)-5-anilino-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-chloro-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-4-[(4-methoxyphenyl)methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one is sourced from PubChem (CID 159705904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).