(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide

C155H149ClF2N24O10 — CID 157077960

IUPAC(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide
SMILESCC(C)c1ccc(-c2nc3c(n2Cc2ccc(Cl)cc2)CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C(N)=O)=C[C@@]2(C)c3c(c(-c4ccccn4)nn3-c3ccc(-c4ccnc(CF)c4)cn3)CC[C@H]12.Cc1cc(-c2ccc(-n3nc(-c4ccccc4F)c4c3[C@]3(C)C=C(C(N)=O)C(=O)[C@H](C)[C@H]3CC4)cc2)cnn1.Cc1ccc(-c2nn(-c3ccc(-c4cc(C)cnn4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.Cc1ccc(-c2nn(-c3ccc(-c4cnnc(C)c4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1
InChIInChI=1S/2C32H31N5O2.C31H28FN5O2.C30H32ClN3O2.C30H27FN6O2/c1-18-5-7-22(8-6-18)28-25-13-14-27-20(3)29(38)26(31(33)39)16-32(27,4)30(25)37(36-28)24-11-9-21(10-12-24)23-15-19(2)35-34-17-23;1-18-5-7-22(8-6-18)28-24-13-14-26-20(3)29(38)25(31(33)39)16-32(26,4)30(24)37(36-28)23-11-9-21(10-12-23)27-15-19(2)17-34-35-27;1-17-14-20(16-34-35-17)19-8-10-21(11-9-19)37-29-23(27(36-37)22-6-4-5-7-26(22)32)12-13-25-18(2)28(38)24(30(33)39)15-31(25,29)3;1-17(2)20-7-9-21(10-8-20)29-33-27-25(34(29)16-19-5-11-22(31)12-6-19)14-13-24-18(3)26(35)23(28(32)36)15-30(24,27)4;1-17-23-8-7-21-26(24-5-3-4-11-34-24)36-37(28(21)30(23,2)14-22(27(17)38)29(32)39)25-9-6-19(16-35-25)18-10-12-33-20(13-18)15-31/h5-12,15-17,20,27H,13-14H2,1-4H3,(H2,33,39);5-12,15-17,20,26H,13-14H2,1-4H3,(H2,33,39);4-11,14-16,18,25H,12-13H2,1-3H3,(H2,33,39);5-12,15,17-18,24H,13-14,16H2,1-4H3,(H2,32,36);3-6,9-14,16-17,23H,7-8,15H2,1-2H3,(H2,32,39)/t20-,27-,32-;20-,26-,32-;18-,25-,31-;18-,24-,30-;17-,23-,30-/m11111/s1
InChIKeyADERZFYNPMBZSF-DXWNCUAHSA-N
MW2581.50 g/mol
LogP25.16
Rot. Bonds22

About (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide

(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide (PubChem CID 157077960) has the molecular formula C155H149ClF2N24O10 and a molecular weight of 2581.50 g/mol. Its IUPAC name is (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide.

Molecular Properties

Compound Name(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide
PubChem CID157077960
Molecular FormulaC155H149ClF2N24O10
Molecular Weight2581.50 g/mol
Exact Mass2579.15
IUPAC Name(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide
SMILESCC(C)c1ccc(-c2nc3c(n2Cc2ccc(Cl)cc2)CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C(N)=O)=C[C@@]2(C)c3c(c(-c4ccccn4)nn3-c3ccc(-c4ccnc(CF)c4)cn3)CC[C@H]12.Cc1cc(-c2ccc(-n3nc(-c4ccccc4F)c4c3[C@]3(C)C=C(C(N)=O)C(=O)[C@H](C)[C@H]3CC4)cc2)cnn1.Cc1ccc(-c2nn(-c3ccc(-c4cc(C)cnn4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.Cc1ccc(-c2nn(-c3ccc(-c4cnnc(C)c4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1
InChIInChI=1S/2C32H31N5O2.C31H28FN5O2.C30H32ClN3O2.C30H27FN6O2/c1-18-5-7-22(8-6-18)28-25-13-14-27-20(3)29(38)26(31(33)39)16-32(27,4)30(25)37(36-28)24-11-9-21(10-12-24)23-15-19(2)35-34-17-23;1-18-5-7-22(8-6-18)28-24-13-14-26-20(3)29(38)25(31(33)39)16-32(26,4)30(24)37(36-28)23-11-9-21(10-12-23)27-15-19(2)17-34-35-27;1-17-14-20(16-34-35-17)19-8-10-21(11-9-19)37-29-23(27(36-37)22-6-4-5-7-26(22)32)12-13-25-18(2)28(38)24(30(33)39)15-31(25,29)3;1-17(2)20-7-9-21(10-8-20)29-33-27-25(34(29)16-19-5-11-22(31)12-6-19)14-13-24-18(3)26(35)23(28(32)36)15-30(24,27)4;1-17-23-8-7-21-26(24-5-3-4-11-34-24)36-37(28(21)30(23,2)14-22(27(17)38)29(32)39)25-9-6-19(16-35-25)18-10-12-33-20(13-18)15-31/h5-12,15-17,20,27H,13-14H2,1-4H3,(H2,33,39);5-12,15-17,20,26H,13-14H2,1-4H3,(H2,33,39);4-11,14-16,18,25H,12-13H2,1-3H3,(H2,33,39);5-12,15,17-18,24H,13-14,16H2,1-4H3,(H2,32,36);3-6,9-14,16-17,23H,7-8,15H2,1-2H3,(H2,32,39)/t20-,27-,32-;20-,26-,32-;18-,25-,31-;18-,24-,30-;17-,23-,30-/m11111/s1
InChIKeyADERZFYNPMBZSF-DXWNCUAHSA-N
XLogP25.16
TPSA505.91 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002581.50
LogP ≤ 525.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide?
The IUPAC name of (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide (CID 157077960) is (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide.
What is the SMILES notation for (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide?
The canonical SMILES for (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide is CC(C)c1ccc(-c2nc3c(n2Cc2ccc(Cl)cc2)CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.C[C@H]1C(=O)C(C(N)=O)=C[C@@]2(C)c3c(c(-c4ccccn4)nn3-c3ccc(-c4ccnc(CF)c4)cn3)CC[C@H]12.Cc1cc(-c2ccc(-n3nc(-c4ccccc4F)c4c3[C@]3(C)C=C(C(N)=O)C(=O)[C@H](C)[C@H]3CC4)cc2)cnn1.Cc1ccc(-c2nn(-c3ccc(-c4cc(C)cnn4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.Cc1ccc(-c2nn(-c3ccc(-c4cnnc(C)c4)cc3)c3c2CC[C@@H]2[C@@H](C)C(=O)C(C(N)=O)=C[C@@]32C)cc1.
What is the InChIKey of (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide?
The InChIKey is ADERZFYNPMBZSF-DXWNCUAHSA-N. The full InChI is InChI=1S/2C32H31N5O2.C31H28FN5O2.C30H32ClN3O2.C30H27FN6O2/c1-18-5-7-22(8-6-18)28-25-13-14-27-20(3)29(38)26(31(33)39)16-32(27,4)30(25)37(36-28)24-11-9-21(10-12-24)23-15-19(2)35-34-17-23;1-18-5-7-22(8-6-18)28-24-13-14-26-20(3)29(38)25(31(33)39)16-32(26,4)30(24)37(36-28)23-11-9-21(10-12-23)27-15-19(2)17-34-35-27;1-17-14-20(16-34-35-17)19-8-10-21(11-9-19)37-29-23(27(36-37)22-6-4-5-7-26(22)32)12-13-25-18(2)28(38)24(30(33)39)15-31(25,29)3;1-17(2)20-7-9-21(10-8-20)29-33-27-25(34(29)16-19-5-11-22(31)12-6-19)14-13-24-18(3)26(35)23(28(32)36)15-30(24,27)4;1-17-23-8-7-21-26(24-5-3-4-11-34-24)36-37(28(21)30(23,2)14-22(27(17)38)29(32)39)25-9-6-19(16-35-25)18-10-12-33-20(13-18)15-31/h5-12,15-17,20,27H,13-14H2,1-4H3,(H2,33,39);5-12,15-17,20,26H,13-14H2,1-4H3,(H2,33,39);4-11,14-16,18,25H,12-13H2,1-3H3,(H2,33,39);5-12,15,17-18,24H,13-14,16H2,1-4H3,(H2,32,36);3-6,9-14,16-17,23H,7-8,15H2,1-2H3,(H2,32,39)/t20-,27-,32-;20-,26-,32-;18-,25-,31-;18-,24-,30-;17-,23-,30-/m11111/s1.
What are the key properties of (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide?
(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide has a molecular weight of 2581.50 g/mol, XLogP of 25.16, 22 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide is sourced from PubChem (CID 157077960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).