dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C96H148AlCl2Cs2F3LiN15O18S4 — CID 159543075

About dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159543075) has the molecular formula C96H148AlCl2Cs2F3LiN15O18S4 and a molecular weight of 2356.23 g/mol. Its IUPAC name is dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159543075
• Molecular Formula: C96H148AlCl2Cs2F3LiN15O18S4
• Molecular Weight: 2356.23 g/mol
• Exact Mass: 2353.74
• IUPAC Name: dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: C.CC(=O)C1(N)CC1.CCOC(=O)C1(N2CCCCC2)CC1.CS(=O)(=O)OCC1(N2CCN(S(C)(=O)=O)CC2)CC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC1(N2CCN(S(C)(=O)=O)CC2)CC1.ClCCCCCCl.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=C(O)C1(N2CCCCC2)CC1.O=CO[O-].OCC1(N2CCCCC2)CC1.[AlH3].[Cs+].[Cs+].[H-].[H-].[Li+]
• InChI: InChI=1S/C20H24N4O3S.C13H15F3N4S.C12H9NO.C11H19NO2.C10H20N2O5S2.C9H15NO2.C9H17NO.C5H10Cl2.C5H9NO.CH2O3.CH4.Al.2Cs.Li.5H/c1-15-16(13-25)3-4-19-18(15)11-17(12-21)24(19)14-20(5-6-20)22-7-9-23(10-8-22)28(2,26)27;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-2-14-10(13)11(6-7-11)12-8-4-3-5-9-12;1-18(13,14)12-7-5-11(6-8-12)10(3-4-10)9-17-19(2,15)16;11-8(12)9(4-5-9)10-6-2-1-3-7-10;11-8-9(4-5-9)10-6-2-1-3-7-10;6-4-2-1-3-5-7;1-4(7)5(6)2-3-5;2-1-4-3;;;;;;;;;;/h3-4,11,13H,5-10,14H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;2-9H2,1H3;3-9H2,1-2H3;1-7H2,(H,11,12);11H,1-8H2;1-5H2;2-3,6H2,1H3;1,3H;1H4;;;;;;;;;/q;;;;;;;;;;;;3*+1;;;;2*-1/p-1
• InChIKey: JYPFRJUXWHQJIM-UHFFFAOYSA-M
• XLogP: 1.53
• TPSA: 447.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2356.23
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159543075) is dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is C.CC(=O)C1(N)CC1.CCOC(=O)C1(N2CCCCC2)CC1.CS(=O)(=O)OCC1(N2CCN(S(C)(=O)=O)CC2)CC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC1(N2CCN(S(C)(=O)=O)CC2)CC1.ClCCCCCCl.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=C(O)C1(N2CCCCC2)CC1.O=CO[O-].OCC1(N2CCCCC2)CC1.[AlH3].[Cs+].[Cs+].[H-].[H-].[Li+].

What is the InChIKey of dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is JYPFRJUXWHQJIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24N4O3S.C13H15F3N4S.C12H9NO.C11H19NO2.C10H20N2O5S2.C9H15NO2.C9H17NO.C5H10Cl2.C5H9NO.CH2O3.CH4.Al.2Cs.Li.5H/c1-15-16(13-25)3-4-19-18(15)11-17(12-21)24(19)14-20(5-6-20)22-7-9-23(10-8-22)28(2,26)27;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-2-14-10(13)11(6-7-11)12-8-4-3-5-9-12;1-18(13,14)12-7-5-11(6-8-12)10(3-4-10)9-17-19(2,15)16;11-8(12)9(4-5-9)10-6-2-1-3-7-10;11-8-9(4-5-9)10-6-2-1-3-7-10;6-4-2-1-3-5-7;1-4(7)5(6)2-3-5;2-1-4-3;;;;;;;;;;/h3-4,11,13H,5-10,14H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;2-9H2,1H3;3-9H2,1-2H3;1-7H2,(H,11,12);11H,1-8H2;1-5H2;2-3,6H2,1H3;1,3H;1H4;;;;;;;;;/q;;;;;;;;;;;;3*+1;;;;2*-1/p-1.

What are the key properties of dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2356.23 g/mol, XLogP of 1.53, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;alumane;1-(1-aminocyclopropyl)ethanone;1,5-dichloropentane;ethyl 1-piperidin-1-ylcyclopropane-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl]indole-2-carbonitrile;hydride;methane;[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methyl methanesulfonate;oxido formate;1-piperidin-1-ylcyclopropane-1-carboxylic acid;(1-piperidin-1-ylcyclopropyl)methanol;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159543075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).