1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide

C176H182F10N18O14 — CID 172980638

IUPAC1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C31H33F2N3O2.C31H32F2N2O3.C29H29F2N3O3.C29H32N4O2.C28H29F2N3O2.C28H27F2N3O2/c1-20(2)19-38-35-17-24-10-12-25-28(15-24)36(18-22-8-6-5-7-9-22)30(21(3)4)29(25)31(37)34-16-23-11-13-26(32)27(33)14-23;1-4-5-15-38-31(37)23-12-13-24-27(17-23)35(19-21-9-7-6-8-10-21)29(20(2)3)28(24)30(36)34-18-22-11-14-25(32)26(33)16-22;1-18(2)28-27(29(35)33-16-19-8-11-23(30)24(31)14-19)22-10-9-21(37-26-7-5-13-36-26)15-25(22)34(28)17-20-6-3-4-12-32-20;1-20(2)28-27(29(34)32-18-21-8-7-14-30-17-21)25-13-12-24(35-23-10-3-4-11-23)16-26(25)33(28)19-22-9-5-6-15-31-22;1-17(2)27-26(28(34)32-15-19-8-11-23(29)24(30)13-19)22-10-9-21(35-18(3)4)14-25(22)33(27)16-20-7-5-6-12-31-20;1-18(2)27-26(28(34)31-15-20-10-12-23(29)24(30)13-20)22-11-9-21(16-32-35-3)14-25(22)33(27)17-19-7-5-4-6-8-19/h5-15,17,20-21H,16,18-19H2,1-4H3,(H,34,37);6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,34,36);3-4,6,8-12,14-15,18,26H,5,7,13,16-17H2,1-2H3,(H,33,35);5-9,12-17,20,23H,3-4,10-11,18-19H2,1-2H3,(H,32,34);5-14,17-18H,15-16H2,1-4H3,(H,32,34);4-14,16,18H,15,17H2,1-3H3,(H,31,34)/b35-17+;;;;;32-16+
InChIKeyLHYKHFSLIXZBFA-XKNODOADSA-N
MW2963.48 g/mol
LogP38.00
Rot. Bonds52

About 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide (PubChem CID 172980638) has the molecular formula C176H182F10N18O14 and a molecular weight of 2963.48 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
PubChem CID172980638
Molecular FormulaC176H182F10N18O14
Molecular Weight2963.48 g/mol
Exact Mass2961.39
IUPAC Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C31H33F2N3O2.C31H32F2N2O3.C29H29F2N3O3.C29H32N4O2.C28H29F2N3O2.C28H27F2N3O2/c1-20(2)19-38-35-17-24-10-12-25-28(15-24)36(18-22-8-6-5-7-9-22)30(21(3)4)29(25)31(37)34-16-23-11-13-26(32)27(33)14-23;1-4-5-15-38-31(37)23-12-13-24-27(17-23)35(19-21-9-7-6-8-10-21)29(20(2)3)28(24)30(36)34-18-22-11-14-25(32)26(33)16-22;1-18(2)28-27(29(35)33-16-19-8-11-23(30)24(31)14-19)22-10-9-21(37-26-7-5-13-36-26)15-25(22)34(28)17-20-6-3-4-12-32-20;1-20(2)28-27(29(34)32-18-21-8-7-14-30-17-21)25-13-12-24(35-23-10-3-4-11-23)16-26(25)33(28)19-22-9-5-6-15-31-22;1-17(2)27-26(28(34)32-15-19-8-11-23(29)24(30)13-19)22-10-9-21(35-18(3)4)14-25(22)33(27)16-20-7-5-6-12-31-20;1-18(2)27-26(28(34)31-15-20-10-12-23(29)24(30)13-20)22-11-9-21(16-32-35-3)14-25(22)33(27)17-19-7-5-4-6-8-19/h5-15,17,20-21H,16,18-19H2,1-4H3,(H,34,37);6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,34,36);3-4,6,8-12,14-15,18,26H,5,7,13,16-17H2,1-2H3,(H,33,35);5-9,12-17,20,23H,3-4,10-11,18-19H2,1-2H3,(H,32,34);5-14,17-18H,15-16H2,1-4H3,(H,32,34);4-14,16,18H,15,17H2,1-3H3,(H,31,34)/b35-17+;;;;;32-16+
InChIKeyLHYKHFSLIXZBFA-XKNODOADSA-N
XLogP38.00
TPSA362.14 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds52
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.48
LogP ≤ 538.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide with MolForge

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Related Compounds

1-[1-benzyl-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 1-benzyl-3-(3-phenylpropanoyl)-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-2-propan-2-yl-3-(3-pyridin-3-ylpropanoyl)indole-6-carboxylate;1-[2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one
CID 172924145
1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate
CID 159063433
N-[(3,4-difluorophenyl)methyl]-6-(methoxyiminomethyl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 74959745
1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyrrolidin-3-yloxyindole-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methoxyethoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;ethyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[(3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
CID 159784785
6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 59762430
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hexoxy-2-propan-2-ylindole-3-carboxamide
CID 25059747
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide
CID 25059746
ethyl 3-[(4-ethyl-3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;molecular hydrogen
CID 143866683
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(hydroxyiminomethyl)-2-propan-2-ylindole-3-carboxamide
CID 72555271
N-[(3,4-difluorophenyl)methyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)indole-3-carboxamide
CID 59762441
ethyl 3-[(5-fluoro-3-pyridinyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
CID 59762299
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide (CID 172980638) is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide is CC(C)CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The InChIKey is LHYKHFSLIXZBFA-XKNODOADSA-N. The full InChI is InChI=1S/C31H33F2N3O2.C31H32F2N2O3.C29H29F2N3O3.C29H32N4O2.C28H29F2N3O2.C28H27F2N3O2/c1-20(2)19-38-35-17-24-10-12-25-28(15-24)36(18-22-8-6-5-7-9-22)30(21(3)4)29(25)31(37)34-16-23-11-13-26(32)27(33)14-23;1-4-5-15-38-31(37)23-12-13-24-27(17-23)35(19-21-9-7-6-8-10-21)29(20(2)3)28(24)30(36)34-18-22-11-14-25(32)26(33)16-22;1-18(2)28-27(29(35)33-16-19-8-11-23(30)24(31)14-19)22-10-9-21(37-26-7-5-13-36-26)15-25(22)34(28)17-20-6-3-4-12-32-20;1-20(2)28-27(29(34)32-18-21-8-7-14-30-17-21)25-13-12-24(35-23-10-3-4-11-23)16-26(25)33(28)19-22-9-5-6-15-31-22;1-17(2)27-26(28(34)32-15-19-8-11-23(29)24(30)13-19)22-10-9-21(35-18(3)4)14-25(22)33(27)16-20-7-5-6-12-31-20;1-18(2)27-26(28(34)31-15-20-10-12-23(29)24(30)13-20)22-11-9-21(16-32-35-3)14-25(22)33(27)17-19-7-5-4-6-8-19/h5-15,17,20-21H,16,18-19H2,1-4H3,(H,34,37);6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,34,36);3-4,6,8-12,14-15,18,26H,5,7,13,16-17H2,1-2H3,(H,33,35);5-9,12-17,20,23H,3-4,10-11,18-19H2,1-2H3,(H,32,34);5-14,17-18H,15-16H2,1-4H3,(H,32,34);4-14,16,18H,15,17H2,1-3H3,(H,31,34)/b35-17+;;;;;32-16+.
What are the key properties of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide has a molecular weight of 2963.48 g/mol, XLogP of 38.00, 52 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-2-methylpropoxyiminomethyl]-2-propan-2-ylindole-3-carboxamide;butyl 1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylate;6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 172980638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).