1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole

C68H76Cl4N12O5S — CID 157115296

IUPAC1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole
SMILESCC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.CN1C(=O)NC(=O)C12CCN(c1cc(Cl)cc3[nH]ccc13)CC2.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.Clc1cc(N2CCC(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H19ClN2.C17H20ClN3O.C16H17ClN4O2.C16H20ClN3O2S/c20-16-12-18-17(6-9-21-18)19(13-16)22-10-7-15(8-11-22)14-4-2-1-3-5-14;1-12(22)21-8-7-20(11-17(21)4-2-5-17)16-10-13(18)9-15-14(16)3-6-19-15;1-20-15(23)19-14(22)16(20)3-6-21(7-4-16)13-9-10(17)8-12-11(13)2-5-18-12;1-23(21,22)20-8-7-19(11-16(20)4-2-5-16)15-10-12(17)9-14-13(15)3-6-18-14/h1-6,9,12-13,15,21H,7-8,10-11H2;3,6,9-10,19H,2,4-5,7-8,11H2,1H3;2,5,8-9,18H,3-4,6-7H2,1H3,(H,19,22,23);3,6,9-10,18H,2,4-5,7-8,11H2,1H3
InChIKeyAHICRYOKUMQFFG-UHFFFAOYSA-N
MW1315.31 g/mol
LogP13.79
Rot. Bonds6

About 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole

1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole (PubChem CID 157115296) has the molecular formula C68H76Cl4N12O5S and a molecular weight of 1315.31 g/mol. Its IUPAC name is 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole.

Molecular Properties

Compound Name1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole
PubChem CID157115296
Molecular FormulaC68H76Cl4N12O5S
Molecular Weight1315.31 g/mol
Exact Mass1312.45
IUPAC Name1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole
SMILESCC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.CN1C(=O)NC(=O)C12CCN(c1cc(Cl)cc3[nH]ccc13)CC2.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.Clc1cc(N2CCC(c3ccccc3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H19ClN2.C17H20ClN3O.C16H17ClN4O2.C16H20ClN3O2S/c20-16-12-18-17(6-9-21-18)19(13-16)22-10-7-15(8-11-22)14-4-2-1-3-5-14;1-12(22)21-8-7-20(11-17(21)4-2-5-17)16-10-13(18)9-15-14(16)3-6-19-15;1-20-15(23)19-14(22)16(20)3-6-21(7-4-16)13-9-10(17)8-12-11(13)2-5-18-12;1-23(21,22)20-8-7-19(11-16(20)4-2-5-16)15-10-12(17)9-14-13(15)3-6-18-14/h1-6,9,12-13,15,21H,7-8,10-11H2;3,6,9-10,19H,2,4-5,7-8,11H2,1H3;2,5,8-9,18H,3-4,6-7H2,1H3,(H,19,22,23);3,6,9-10,18H,2,4-5,7-8,11H2,1H3
InChIKeyAHICRYOKUMQFFG-UHFFFAOYSA-N
XLogP13.79
TPSA183.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.31
LogP ≤ 513.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole with MolForge

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Related Compounds

6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 157802581
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159222337
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 161985617
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 157214604
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
CID 157299475
8-(6-chloro-1H-indol-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
CID 157536019
[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-cyclopropylmethanone;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indole
CID 157612843
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindole;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 157644215
1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole
CID 157679618
8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]morpholine;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
CID 157748633

Frequently Asked Questions

What is the IUPAC name of 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole?
The IUPAC name of 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole (CID 157115296) is 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole.
What is the SMILES notation for 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole?
The canonical SMILES for 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole is CC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.CN1C(=O)NC(=O)C12CCN(c1cc(Cl)cc3[nH]ccc13)CC2.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC12CCC2.Clc1cc(N2CCC(c3ccccc3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole?
The InChIKey is AHICRYOKUMQFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2.C17H20ClN3O.C16H17ClN4O2.C16H20ClN3O2S/c20-16-12-18-17(6-9-21-18)19(13-16)22-10-7-15(8-11-22)14-4-2-1-3-5-14;1-12(22)21-8-7-20(11-17(21)4-2-5-17)16-10-13(18)9-15-14(16)3-6-19-15;1-20-15(23)19-14(22)16(20)3-6-21(7-4-16)13-9-10(17)8-12-11(13)2-5-18-12;1-23(21,22)20-8-7-19(11-16(20)4-2-5-16)15-10-12(17)9-14-13(15)3-6-18-14/h1-6,9,12-13,15,21H,7-8,10-11H2;3,6,9-10,19H,2,4-5,7-8,11H2,1H3;2,5,8-9,18H,3-4,6-7H2,1H3,(H,19,22,23);3,6,9-10,18H,2,4-5,7-8,11H2,1H3.
What are the key properties of 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole?
1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole has a molecular weight of 1315.31 g/mol, XLogP of 13.79, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(6-chloro-1H-indol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indol-4-yl)-5-methylsulfonyl-5,8-diazaspiro[3.5]nonane;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indole is sourced from PubChem (CID 157115296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).