8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone

C64H75Cl3F3N11O5 — CID 160543493

IUPAC8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ccc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CN1
InChIInChI=1S/C17H22ClN3O.C16H18ClN3O.C16H17F3N2O2.C15H18ClN3O/c1-12(22)20(2)11-13-4-7-21(8-5-13)17-10-14(18)9-16-15(17)3-6-19-16;17-11-7-13-12(1-4-18-13)14(8-11)20-5-2-16(3-6-20)9-15(21)19-10-16;1-10(22)21-6-3-11(4-7-21)14-8-12(23-16(17,18)19)9-15-13(14)2-5-20-15;1-10(20)18(2)12-4-6-19(9-12)15-8-11(16)7-14-13(15)3-5-17-14/h3,6,9-10,13,19H,4-5,7-8,11H2,1-2H3;1,4,7-8,18H,2-3,5-6,9-10H2,(H,19,21);2,5,8-9,11,20H,3-4,6-7H2,1H3;3,5,7-8,12,17H,4,6,9H2,1-2H3
InChIKeyQXCKVFWDXMBUBZ-UHFFFAOYSA-N
MW1241.73 g/mol
LogP13.11
Rot. Bonds8

About 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone

8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone (PubChem CID 160543493) has the molecular formula C64H75Cl3F3N11O5 and a molecular weight of 1241.73 g/mol. Its IUPAC name is 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone
PubChem CID160543493
Molecular FormulaC64H75Cl3F3N11O5
Molecular Weight1241.73 g/mol
Exact Mass1239.50
IUPAC Name8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ccc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CN1
InChIInChI=1S/C17H22ClN3O.C16H18ClN3O.C16H17F3N2O2.C15H18ClN3O/c1-12(22)20(2)11-13-4-7-21(8-5-13)17-10-14(18)9-16-15(17)3-6-19-16;17-11-7-13-12(1-4-18-13)14(8-11)20-5-2-16(3-6-20)9-15(21)19-10-16;1-10(22)21-6-3-11(4-7-21)14-8-12(23-16(17,18)19)9-15-13(14)2-5-20-15;1-10(20)18(2)12-4-6-19(9-12)15-8-11(16)7-14-13(15)3-5-17-14/h3,6,9-10,13,19H,4-5,7-8,11H2,1-2H3;1,4,7-8,18H,2-3,5-6,9-10H2,(H,19,21);2,5,8-9,11,20H,3-4,6-7H2,1H3;3,5,7-8,12,17H,4,6,9H2,1-2H3
InChIKeyQXCKVFWDXMBUBZ-UHFFFAOYSA-N
XLogP13.11
TPSA172.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.73
LogP ≤ 513.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157405105
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157775402
N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indole
CID 157921757
9-(6-chloro-1H-indol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole
CID 157940866
4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158545799
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160147946
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160776329
N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 162178082
1-[4-(6-chloro-1H-indol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-methoxy-1H-indol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole
CID 157519323
1-[3-(3-chlorophenyl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(4-chlorophenyl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(4-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(5-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(6-methoxy-1H-indol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one;1-[3-(1H-pyrrol-2-yl)-1H-isoindol-5-yl]pyrrolidin-2-one
CID 157736877
6-chloro-1-(2,2-dimethylpropyl)-4-methylindole;6-chloro-1-(3-methoxypropyl)-4-methylindole;6-chloro-4-methyl-1H-indene;1-(6-chloro-4-methylindol-1-yl)butan-2-one;3-(6-chloro-4-methylindol-1-yl)-N-methylpropanamide;6-chloro-4-methyl-1-(2-piperidin-1-ylethyl)indole;6-chloro-4-methyl-1-(3-piperidin-1-ylpropyl)indole;6-fluoro-4-methyl-1H-indene;2-(6-methoxy-5-methylindol-1-yl)-N,N-dimethylacetamide
CID 158731855
[(1R)-1-[[(2S)-2-[[2-(2-chlorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(3,6-dichlorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(3-fluorocarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-1-[[(2S)-2-[[2-(2-methoxycarbazol-9-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid;[(1R)-3-methyl-1-[[(2S)-4-methyl-2-[(2-pyrido[3,4-b]indol-9-ylacetyl)amino]pentanoyl]amino]butyl]boronic acid;[(1R)-3-methyl-1-[[(2S)-4-methyl-2-[(2-pyrido[4,3-b]indol-5-ylacetyl)amino]pentanoyl]amino]butyl]boronic acid
CID 167608536

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone (CID 160543493) is 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ccc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CN1.
What is the InChIKey of 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is QXCKVFWDXMBUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O.C16H18ClN3O.C16H17F3N2O2.C15H18ClN3O/c1-12(22)20(2)11-13-4-7-21(8-5-13)17-10-14(18)9-16-15(17)3-6-19-16;17-11-7-13-12(1-4-18-13)14(8-11)20-5-2-16(3-6-20)9-15(21)19-10-16;1-10(22)21-6-3-11(4-7-21)14-8-12(23-16(17,18)19)9-15-13(14)2-5-20-15;1-10(20)18(2)12-4-6-19(9-12)15-8-11(16)7-14-13(15)3-5-17-14/h3,6,9-10,13,19H,4-5,7-8,11H2,1-2H3;1,4,7-8,18H,2-3,5-6,9-10H2,(H,19,21);2,5,8-9,11,20H,3-4,6-7H2,1H3;3,5,7-8,12,17H,4,6,9H2,1-2H3.
What are the key properties of 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone?
8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 1241.73 g/mol, XLogP of 13.11, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160543493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).