2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide

C160H168Cl10F15N19O8 — CID 161033599

IUPAC2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
SMILESCC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCC(N)C(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
InChIInChI=1S/C34H38Cl2F3N5O2.C33H35Cl2F3N4O2.C32H33Cl2F3N4O2.C31H32Cl2F3N3O.C30H30Cl2F3N3O/c1-2-31(40)33(45)41-13-4-14-44-22-27(24-8-10-25(11-9-24)46-34(37,38)39)26-19-23(7-12-32(26)44)20-42-15-17-43(18-16-42)21-28-29(35)5-3-6-30(28)36;1-2-32(43)39-13-4-14-42-22-27(24-8-10-25(11-9-24)44-33(36,37)38)26-19-23(7-12-31(26)42)20-40-15-17-41(18-16-40)21-28-29(34)5-3-6-30(28)35;1-22(42)38-13-3-4-24-20-41(25-8-10-26(11-9-25)43-32(35,36)37)31-18-23(7-12-27(24)31)19-39-14-16-40(17-15-39)21-28-29(33)5-2-6-30(28)34;1-2-3-5-23-20-39(24-9-11-25(12-10-24)40-31(34,35)36)30-18-22(8-13-26(23)30)19-37-14-16-38(17-15-37)21-27-28(32)6-4-7-29(27)33;1-2-12-38-20-25(22-7-9-23(10-8-22)39-30(33,34)35)24-17-21(6-11-29(24)38)18-36-13-15-37(16-14-36)19-26-27(31)4-3-5-28(26)32/h3,5-12,19,22,31H,2,4,13-18,20-21,40H2,1H3,(H,41,45);3,5-12,19,22H,2,4,13-18,20-21H2,1H3,(H,39,43);2,5-12,18,20H,3-4,13-17,19,21H2,1H3,(H,38,42);4,6-13,18,20H,2-3,5,14-17,19,21H2,1H3;3-11,17,20H,2,12-16,18-19H2,1H3
InChIKeyTZYMQHXGMKIZPO-UHFFFAOYSA-N
MW3124.73 g/mol
LogP38.78
Rot. Bonds50

About 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide

2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide (PubChem CID 161033599) has the molecular formula C160H168Cl10F15N19O8 and a molecular weight of 3124.73 g/mol. Its IUPAC name is 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
PubChem CID161033599
Molecular FormulaC160H168Cl10F15N19O8
Molecular Weight3124.73 g/mol
Exact Mass3118.00
IUPAC Name2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
SMILESCC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCC(N)C(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
InChIInChI=1S/C34H38Cl2F3N5O2.C33H35Cl2F3N4O2.C32H33Cl2F3N4O2.C31H32Cl2F3N3O.C30H30Cl2F3N3O/c1-2-31(40)33(45)41-13-4-14-44-22-27(24-8-10-25(11-9-24)46-34(37,38)39)26-19-23(7-12-32(26)44)20-42-15-17-43(18-16-42)21-28-29(35)5-3-6-30(28)36;1-2-32(43)39-13-4-14-42-22-27(24-8-10-25(11-9-24)44-33(36,37)38)26-19-23(7-12-31(26)42)20-40-15-17-41(18-16-40)21-28-29(34)5-3-6-30(28)35;1-22(42)38-13-3-4-24-20-41(25-8-10-26(11-9-25)43-32(35,36)37)31-18-23(7-12-27(24)31)19-39-14-16-40(17-15-39)21-28-29(33)5-2-6-30(28)34;1-2-3-5-23-20-39(24-9-11-25(12-10-24)40-31(34,35)36)30-18-22(8-13-26(23)30)19-37-14-16-38(17-15-37)21-27-28(32)6-4-7-29(27)33;1-2-12-38-20-25(22-7-9-23(10-8-22)39-30(33,34)35)24-17-21(6-11-29(24)38)18-36-13-15-37(16-14-36)19-26-27(31)4-3-5-28(26)32/h3,5-12,19,22,31H,2,4,13-18,20-21,40H2,1H3,(H,41,45);3,5-12,19,22H,2,4,13-18,20-21H2,1H3,(H,39,43);2,5-12,18,20H,3-4,13-17,19,21H2,1H3,(H,38,42);4,6-13,18,20H,2-3,5,14-17,19,21H2,1H3;3-11,17,20H,2,12-16,18-19H2,1H3
InChIKeyTZYMQHXGMKIZPO-UHFFFAOYSA-N
XLogP38.78
TPSA216.52 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003124.73
LogP ≤ 538.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide with MolForge

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Related Compounds

4-amino-N-[3-[5-[[8-[(2,6-dichlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185689
4-[(2-chloropyridin-4-yl)methylamino]-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185816
4-[(2-chloro-4-pyridinyl)-methylamino]-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185817
4-amino-N-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185826
4-amino-N-[3-[5-[[8-[(2,6-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185834
4-amino-N-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185862
4-amino-N-[3-[5-[[6-[(2,6-dichlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185897
4-[[2-(3-chlorophenyl)pyridin-3-yl]methylamino]-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185919
Tert-butyl 4-amino-4-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate
CID 129185938
4-amino-N-[3-[5-[[[3-[(2,6-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129186050
4-[(2-chloro-6-methoxyquinolin-3-yl)methylamino]-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129186076
4-amino-N-[3-[5-[[3-[(2,6-dichlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129186178

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?
The IUPAC name of 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide (CID 161033599) is 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?
The canonical SMILES for 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide is CC(=O)NCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCC(N)C(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCc1cn(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc12.CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.
What is the InChIKey of 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?
The InChIKey is TZYMQHXGMKIZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2F3N5O2.C33H35Cl2F3N4O2.C32H33Cl2F3N4O2.C31H32Cl2F3N3O.C30H30Cl2F3N3O/c1-2-31(40)33(45)41-13-4-14-44-22-27(24-8-10-25(11-9-24)46-34(37,38)39)26-19-23(7-12-32(26)44)20-42-15-17-43(18-16-42)21-28-29(35)5-3-6-30(28)36;1-2-32(43)39-13-4-14-42-22-27(24-8-10-25(11-9-24)44-33(36,37)38)26-19-23(7-12-31(26)42)20-40-15-17-41(18-16-40)21-28-29(34)5-3-6-30(28)35;1-22(42)38-13-3-4-24-20-41(25-8-10-26(11-9-25)43-32(35,36)37)31-18-23(7-12-27(24)31)19-39-14-16-40(17-15-39)21-28-29(33)5-2-6-30(28)34;1-2-3-5-23-20-39(24-9-11-25(12-10-24)40-31(34,35)36)30-18-22(8-13-26(23)30)19-37-14-16-38(17-15-37)21-27-28(32)6-4-7-29(27)33;1-2-12-38-20-25(22-7-9-23(10-8-22)39-30(33,34)35)24-17-21(6-11-29(24)38)18-36-13-15-37(16-14-36)19-26-27(31)4-3-5-28(26)32/h3,5-12,19,22,31H,2,4,13-18,20-21,40H2,1H3,(H,41,45);3,5-12,19,22H,2,4,13-18,20-21H2,1H3,(H,39,43);2,5-12,18,20H,3-4,13-17,19,21H2,1H3,(H,38,42);4,6-13,18,20H,2-3,5,14-17,19,21H2,1H3;3-11,17,20H,2,12-16,18-19H2,1H3.
What are the key properties of 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide?
2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide has a molecular weight of 3124.73 g/mol, XLogP of 38.78, 50 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;3-butyl-6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide is sourced from PubChem (CID 161033599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).