1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone

C109H129ClFN13O10 — CID 159932115

IUPAC1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(O)(c3ccc(F)cc3)C4)c12
InChIInChI=1S/C29H37N3O2.C28H35N3O3.C27H31FN2O3.C25H26ClN5O2/c1-34-27-11-5-10-25-26(29(33)24-12-13-24)22-32(28(25)27)18-7-17-30-15-6-16-31(21-20-30)19-14-23-8-3-2-4-9-23;1-33-26-10-5-9-24-25(28(32)22-11-12-22)21-31(27(24)26)14-6-13-29-15-17-30(18-16-29)19-20-34-23-7-3-2-4-8-23;1-18(31)24-17-29(26-23(24)5-3-6-25(26)33-2)13-4-14-30-21-11-12-22(30)16-27(32,15-21)19-7-9-20(28)10-8-19;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h2-5,8-11,22,24H,6-7,12-21H2,1H3;2-5,7-10,21-22H,6,11-20H2,1H3;3,5-10,17,21-22,32H,4,11-16H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3
InChIKeyNZTSOQFBWHODQJ-UHFFFAOYSA-N
MW1835.76 g/mol
LogP19.32
Rot. Bonds35

About 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 159932115) has the molecular formula C109H129ClFN13O10 and a molecular weight of 1835.76 g/mol. Its IUPAC name is 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID159932115
Molecular FormulaC109H129ClFN13O10
Molecular Weight1835.76 g/mol
Exact Mass1833.97
IUPAC Name1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(O)(c3ccc(F)cc3)C4)c12
InChIInChI=1S/C29H37N3O2.C28H35N3O3.C27H31FN2O3.C25H26ClN5O2/c1-34-27-11-5-10-25-26(29(33)24-12-13-24)22-32(28(25)27)18-7-17-30-15-6-16-31(21-20-30)19-14-23-8-3-2-4-9-23;1-33-26-10-5-9-24-25(28(32)22-11-12-22)21-31(27(24)26)14-6-13-29-15-17-30(18-16-29)19-20-34-23-7-3-2-4-8-23;1-18(31)24-17-29(26-23(24)5-3-6-25(26)33-2)13-4-14-30-21-11-12-22(30)16-27(32,15-21)19-7-9-20(28)10-8-19;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h2-5,8-11,22,24H,6-7,12-21H2,1H3;2-5,7-10,21-22H,6,11-20H2,1H3;3,5-10,17,21-22,32H,4,11-16H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3
InChIKeyNZTSOQFBWHODQJ-UHFFFAOYSA-N
XLogP19.32
TPSA216.40 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001835.76
LogP ≤ 519.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 159932115) is 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc(-c4ccncc4)no3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(O)(c3ccc(F)cc3)C4)c12.
What is the InChIKey of 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is NZTSOQFBWHODQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2.C28H35N3O3.C27H31FN2O3.C25H26ClN5O2/c1-34-27-11-5-10-25-26(29(33)24-12-13-24)22-32(28(25)27)18-7-17-30-15-6-16-31(21-20-30)19-14-23-8-3-2-4-9-23;1-33-26-10-5-9-24-25(28(32)22-11-12-22)21-31(27(24)26)14-6-13-29-15-17-30(18-16-29)19-20-34-23-7-3-2-4-8-23;1-18(31)24-17-29(26-23(24)5-3-6-25(26)33-2)13-4-14-30-21-11-12-22(30)16-27(32,15-21)19-7-9-20(28)10-8-19;1-17(32)21-16-31(23-20(21)4-2-5-22(23)26)13-3-12-30-14-8-19(9-15-30)25-28-24(29-33-25)18-6-10-27-11-7-18/h2-5,8-11,22,24H,6-7,12-21H2,1H3;2-5,7-10,21-22H,6,11-20H2,1H3;3,5-10,17,21-22,32H,4,11-16H2,1-2H3;2,4-7,10-11,16,19H,3,8-9,12-15H2,1H3.
What are the key properties of 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1835.76 g/mol, XLogP of 19.32, 35 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 159932115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).