1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one

C180H191Cl8F12N19O10 — CID 158702464

IUPAC1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
SMILESCOc1ccc(CN2CCNC(C(=O)CCCCn3cc(-c4ccc(OC(F)(F)F)cc4)c4cc(CN5CC6CC5CN6Cc5c(Cl)cccc5Cl)ccc43)C2)cc1OCc1ccc(Cl)c(C)c1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CC5CC4CN5Cc4ccccc4)ccc32)CCCCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1(NCc2cccnc2-c2cccc(Cl)c2)CCNCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1CCCCN1
InChIInChI=1S/C53H55Cl3F3N5O4.C50H50Cl3F3N6O2.C39H45F3N4O2.C38H41Cl2F3N4O2/c1-34-22-37(9-16-45(34)54)33-67-52-24-36(11-18-51(52)66-2)26-61-21-19-60-48(32-61)50(65)8-3-4-20-62-30-43(38-12-14-41(15-13-38)68-53(57,58)59)42-23-35(10-17-49(42)62)27-63-28-40-25-39(63)29-64(40)31-44-46(55)6-5-7-47(44)56;51-37-8-3-6-35(25-37)48-36(7-5-20-58-48)27-59-49(18-21-57-22-19-49)47(63)11-1-2-23-60-31-42(34-13-15-40(16-14-34)64-50(54,55)56)41-24-33(12-17-46(41)60)28-61-29-39-26-38(61)30-62(39)32-43-44(52)9-4-10-45(43)53;40-39(41,42)48-33-15-13-30(14-16-33)35-27-44(20-8-5-11-37(47)38(43)18-6-2-7-19-38)36-17-12-29(21-34(35)36)24-46-26-31-22-32(46)25-45(31)23-28-9-3-1-4-10-28;39-33-6-5-7-34(40)32(33)24-47-22-27-19-28(47)21-46(27)20-25-10-15-36-30(18-25)31(26-11-13-29(14-12-26)49-38(41,42)43)23-45(36)17-4-2-9-37(48)35-8-1-3-16-44-35/h5-7,9-18,22-24,30,39-40,48,60H,3-4,8,19-21,25-29,31-33H2,1-2H3;3-10,12-17,20,24-25,31,38-39,57,59H,1-2,11,18-19,21-23,26-30,32H2;1,3-4,9-10,12-17,21,27,31-32H,2,5-8,11,18-20,22-26,43H2;5-7,10-15,18,23,27-28,35,44H,1-4,8-9,16-17,19-22,24H2
InChIKeyIHSDPHRGLVTKRF-UHFFFAOYSA-N
MW3292.23 g/mol
LogP39.99
Rot. Bonds58

About 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one

1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one (PubChem CID 158702464) has the molecular formula C180H191Cl8F12N19O10 and a molecular weight of 3292.23 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
PubChem CID158702464
Molecular FormulaC180H191Cl8F12N19O10
Molecular Weight3292.23 g/mol
Exact Mass3286.23
IUPAC Name1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
SMILESCOc1ccc(CN2CCNC(C(=O)CCCCn3cc(-c4ccc(OC(F)(F)F)cc4)c4cc(CN5CC6CC5CN6Cc5c(Cl)cccc5Cl)ccc43)C2)cc1OCc1ccc(Cl)c(C)c1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CC5CC4CN5Cc4ccccc4)ccc32)CCCCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1(NCc2cccnc2-c2cccc(Cl)c2)CCNCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1CCCCN1
InChIInChI=1S/C53H55Cl3F3N5O4.C50H50Cl3F3N6O2.C39H45F3N4O2.C38H41Cl2F3N4O2/c1-34-22-37(9-16-45(34)54)33-67-52-24-36(11-18-51(52)66-2)26-61-21-19-60-48(32-61)50(65)8-3-4-20-62-30-43(38-12-14-41(15-13-38)68-53(57,58)59)42-23-35(10-17-49(42)62)27-63-28-40-25-39(63)29-64(40)31-44-46(55)6-5-7-47(44)56;51-37-8-3-6-35(25-37)48-36(7-5-20-58-48)27-59-49(18-21-57-22-19-49)47(63)11-1-2-23-60-31-42(34-13-15-40(16-14-34)64-50(54,55)56)41-24-33(12-17-46(41)60)28-61-29-39-26-38(61)30-62(39)32-43-44(52)9-4-10-45(43)53;40-39(41,42)48-33-15-13-30(14-16-33)35-27-44(20-8-5-11-37(47)38(43)18-6-2-7-19-38)36-17-12-29(21-34(35)36)24-46-26-31-22-32(46)25-45(31)23-28-9-3-1-4-10-28;39-33-6-5-7-34(40)32(33)24-47-22-27-19-28(47)21-46(27)20-25-10-15-36-30(18-25)31(26-11-13-29(14-12-26)49-38(41,42)43)23-45(36)17-4-2-9-37(48)35-8-1-3-16-44-35/h5-7,9-18,22-24,30,39-40,48,60H,3-4,8,19-21,25-29,31-33H2,1-2H3;3-10,12-17,20,24-25,31,38-39,57,59H,1-2,11,18-19,21-23,26-30,32H2;1,3-4,9-10,12-17,21,27,31-32H,2,5-8,11,18-20,22-26,43H2;5-7,10-15,18,23,27-28,35,44H,1-4,8-9,16-17,19-22,24H2
InChIKeyIHSDPHRGLVTKRF-UHFFFAOYSA-N
XLogP39.99
TPSA259.57 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds58
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003292.23
LogP ≤ 539.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one (CID 158702464) is 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one is COc1ccc(CN2CCNC(C(=O)CCCCn3cc(-c4ccc(OC(F)(F)F)cc4)c4cc(CN5CC6CC5CN6Cc5c(Cl)cccc5Cl)ccc43)C2)cc1OCc1ccc(Cl)c(C)c1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CC5CC4CN5Cc4ccccc4)ccc32)CCCCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1(NCc2cccnc2-c2cccc(Cl)c2)CCNCC1.O=C(CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CC4CC3CN4Cc3c(Cl)cccc3Cl)ccc21)C1CCCCN1.
What is the InChIKey of 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
The InChIKey is IHSDPHRGLVTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H55Cl3F3N5O4.C50H50Cl3F3N6O2.C39H45F3N4O2.C38H41Cl2F3N4O2/c1-34-22-37(9-16-45(34)54)33-67-52-24-36(11-18-51(52)66-2)26-61-21-19-60-48(32-61)50(65)8-3-4-20-62-30-43(38-12-14-41(15-13-38)68-53(57,58)59)42-23-35(10-17-49(42)62)27-63-28-40-25-39(63)29-64(40)31-44-46(55)6-5-7-47(44)56;51-37-8-3-6-35(25-37)48-36(7-5-20-58-48)27-59-49(18-21-57-22-19-49)47(63)11-1-2-23-60-31-42(34-13-15-40(16-14-34)64-50(54,55)56)41-24-33(12-17-46(41)60)28-61-29-39-26-38(61)30-62(39)32-43-44(52)9-4-10-45(43)53;40-39(41,42)48-33-15-13-30(14-16-33)35-27-44(20-8-5-11-37(47)38(43)18-6-2-7-19-38)36-17-12-29(21-34(35)36)24-46-26-31-22-32(46)25-45(31)23-28-9-3-1-4-10-28;39-33-6-5-7-34(40)32(33)24-47-22-27-19-28(47)21-46(27)20-25-10-15-36-30(18-25)31(26-11-13-29(14-12-26)49-38(41,42)43)23-45(36)17-4-2-9-37(48)35-8-1-3-16-44-35/h5-7,9-18,22-24,30,39-40,48,60H,3-4,8,19-21,25-29,31-33H2,1-2H3;3-10,12-17,20,24-25,31,38-39,57,59H,1-2,11,18-19,21-23,26-30,32H2;1,3-4,9-10,12-17,21,27,31-32H,2,5-8,11,18-20,22-26,43H2;5-7,10-15,18,23,27-28,35,44H,1-4,8-9,16-17,19-22,24H2.
What are the key properties of 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one?
1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one has a molecular weight of 3292.23 g/mol, XLogP of 39.99, 58 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one is sourced from PubChem (CID 158702464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).