1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone

C110H137N11O10 — CID 158306173

IUPAC1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone
SMILESCCCCCC1CC2CCC(C1)N2CCCC1C=C(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNCCOc3ccccc3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C28H37N3O2.C28H30N2O3.C27H31N5O3.C27H39NO2/c1-22(20-31-21-26(23(2)32)25-11-7-12-27(33-3)28(25)31)19-30-15-8-14-29(17-18-30)16-13-24-9-5-4-6-10-24;1-32-27-15-8-14-24-25(26(31)20-22-10-4-2-5-11-22)21-30(28(24)27)18-9-16-29-17-19-33-23-12-6-3-7-13-23;1-18(16-32-17-23(19(2)33)22-5-4-6-24(34-3)25(22)32)15-31-13-9-21(10-14-31)27-29-26(30-35-27)20-7-11-28-12-8-20;1-4-5-6-9-20-16-22-13-14-23(17-20)28(22)15-8-10-21-18-25(19(2)29)24-11-7-12-26(30-3)27(21)24/h4-7,9-12,21-22H,8,13-20H2,1-3H3;2-8,10-15,21,29H,9,16-20H2,1H3;4-8,11-12,17-18,21H,9-10,13-16H2,1-3H3;7,11-12,18,20-23H,4-6,8-10,13-17H2,1-3H3
InChIKeyGNCKLOJZVQPEQH-UHFFFAOYSA-N
MW1773.37 g/mol
LogP21.05
Rot. Bonds39

About 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone

1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone (PubChem CID 158306173) has the molecular formula C110H137N11O10 and a molecular weight of 1773.37 g/mol. Its IUPAC name is 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone
PubChem CID158306173
Molecular FormulaC110H137N11O10
Molecular Weight1773.37 g/mol
Exact Mass1772.05
IUPAC Name1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone
SMILESCCCCCC1CC2CCC(C1)N2CCCC1C=C(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNCCOc3ccccc3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C28H37N3O2.C28H30N2O3.C27H31N5O3.C27H39NO2/c1-22(20-31-21-26(23(2)32)25-11-7-12-27(33-3)28(25)31)19-30-15-8-14-29(17-18-30)16-13-24-9-5-4-6-10-24;1-32-27-15-8-14-24-25(26(31)20-22-10-4-2-5-11-22)21-30(28(24)27)18-9-16-29-17-19-33-23-12-6-3-7-13-23;1-18(16-32-17-23(19(2)33)22-5-4-6-24(34-3)25(22)32)15-31-13-9-21(10-14-31)27-29-26(30-35-27)20-7-11-28-12-8-20;1-4-5-6-9-20-16-22-13-14-23(17-20)28(22)15-8-10-21-18-25(19(2)29)24-11-7-12-26(30-3)27(21)24/h4-7,9-12,21-22H,8,13-20H2,1-3H3;2-8,10-15,21,29H,9,16-20H2,1H3;4-8,11-12,17-18,21H,9-10,13-16H2,1-3H3;7,11-12,18,20-23H,4-6,8-10,13-17H2,1-3H3
InChIKeyGNCKLOJZVQPEQH-UHFFFAOYSA-N
XLogP21.05
TPSA206.02 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.37
LogP ≤ 521.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone?
The IUPAC name of 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone (CID 158306173) is 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone is CCCCCC1CC2CCC(C1)N2CCCC1C=C(C(C)=O)c2cccc(OC)c21.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNCCOc3ccccc3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCCN(CCc4ccccc4)CC3)c12.
What is the InChIKey of 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone?
The InChIKey is GNCKLOJZVQPEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2.C28H30N2O3.C27H31N5O3.C27H39NO2/c1-22(20-31-21-26(23(2)32)25-11-7-12-27(33-3)28(25)31)19-30-15-8-14-29(17-18-30)16-13-24-9-5-4-6-10-24;1-32-27-15-8-14-24-25(26(31)20-22-10-4-2-5-11-22)21-30(28(24)27)18-9-16-29-17-19-33-23-12-6-3-7-13-23;1-18(16-32-17-23(19(2)33)22-5-4-6-24(34-3)25(22)32)15-31-13-9-21(10-14-31)27-29-26(30-35-27)20-7-11-28-12-8-20;1-4-5-6-9-20-16-22-13-14-23(17-20)28(22)15-8-10-21-18-25(19(2)29)24-11-7-12-26(30-3)27(21)24/h4-7,9-12,21-22H,8,13-20H2,1-3H3;2-8,10-15,21,29H,9,16-20H2,1H3;4-8,11-12,17-18,21H,9-10,13-16H2,1-3H3;7,11-12,18,20-23H,4-6,8-10,13-17H2,1-3H3.
What are the key properties of 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone?
1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone has a molecular weight of 1773.37 g/mol, XLogP of 21.05, 39 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-1-[2-methyl-3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[4-methoxy-3-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3H-inden-1-yl]ethanone;1-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 158306173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).