dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C125H185AlBrCs2F6K2LiN22O19S2 — CID 159996999

About dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159996999) has the molecular formula C125H185AlBrCs2F6K2LiN22O19S2 and a molecular weight of 2935.94 g/mol. Its IUPAC name is dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159996999
• Molecular Formula: C125H185AlBrCs2F6K2LiN22O19S2
• Molecular Weight: 2935.94 g/mol
• Exact Mass: 2933.01
• IUPAC Name: dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.CC(CO)N1CCN(C(=O)OC(C)(C)C)CC1.CCC(C)N1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)C(C)Br.COC(=O)C(C)N1CCCCC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC(C)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(C)N1CCCCC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=CO[O-].O=CO[O-].[AlH3].[Cs+].[Cs+].[H-].[H-].[H-].[K+].[K+].[Li+]
• InChI: InChI=1S/C32H38F3N7S.C19H23N3O.C13H15F3N4S.C13H26N2O2.C12H24N2O3.C12H9NO.C9H18N2O2.C9H17NO2.C4H7BrO2.2CH2O3.Al.2Cs.2K.Li.6H/c1-21(41-10-4-3-5-11-41)18-42-25(17-36)14-27-22(2)23(6-7-29(27)42)19-40-12-8-24(9-13-40)39-30-28-15-26(16-32(33,34)35)43-31(28)38-20-37-30;1-14(21-8-4-3-5-9-21)12-22-17(11-20)10-18-15(2)16(13-23)6-7-19(18)22;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-6-11(2)14-7-9-15(10-8-14)12(16)17-13(3,4)5;1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-8(9(11)12-2)10-6-4-3-5-7-10;1-3(5)4(6)7-2;2*2-1-4-3;;;;;;;;;;;;/h6-7,14-15,20-21,24H,3-5,8-13,16,18-19H2,1-2H3,(H,37,38,39);6-7,10,13-14H,3-5,8-9,12H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);11H,6-10H2,1-5H3;10,15H,5-9H2,1-4H3;2-3,5,7H,4H2,1H3;10H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3H,1-2H3;2*1,3H;;;;;;;;;;;;/q;;;;;;;;;;;;5*+1;;;;3*-1/p-2
• InChIKey: HGIXOSFPKUVYCF-UHFFFAOYSA-L
• XLogP: 2.72
• TPSA: 494.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2935.94
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159996999) is dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CCNCC1.CC(CO)N1CCN(C(=O)OC(C)(C)C)CC1.CCC(C)N1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)C(C)Br.COC(=O)C(C)N1CCCCC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC(C)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(C)N1CCCCC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=CO[O-].O=CO[O-].[AlH3].[Cs+].[Cs+].[H-].[H-].[H-].[K+].[K+].[Li+].

What is the InChIKey of dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is HGIXOSFPKUVYCF-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H38F3N7S.C19H23N3O.C13H15F3N4S.C13H26N2O2.C12H24N2O3.C12H9NO.C9H18N2O2.C9H17NO2.C4H7BrO2.2CH2O3.Al.2Cs.2K.Li.6H/c1-21(41-10-4-3-5-11-41)18-42-25(17-36)14-27-22(2)23(6-7-29(27)42)19-40-12-8-24(9-13-40)39-30-28-15-26(16-32(33,34)35)43-31(28)38-20-37-30;1-14(21-8-4-3-5-9-21)12-22-17(11-20)10-18-15(2)16(13-23)6-7-19(18)22;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-6-11(2)14-7-9-15(10-8-14)12(16)17-13(3,4)5;1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-8(9(11)12-2)10-6-4-3-5-7-10;1-3(5)4(6)7-2;2*2-1-4-3;;;;;;;;;;;;/h6-7,14-15,20-21,24H,3-5,8-13,16,18-19H2,1-2H3,(H,37,38,39);6-7,10,13-14H,3-5,8-9,12H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);11H,6-10H2,1-5H3;10,15H,5-9H2,1-4H3;2-3,5,7H,4H2,1H3;10H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3H,1-2H3;2*1,3H;;;;;;;;;;;;/q;;;;;;;;;;;;5*+1;;;;3*-1/p-2.

What are the key properties of dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2935.94 g/mol, XLogP of 2.72, 25 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;dipotassium;alumane;tert-butyl 4-butan-2-ylpiperazine-1-carboxylate;tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-piperidin-1-ylpropyl)indole-2-carbonitrile;hydride;methyl 2-bromopropanoate;methyl 2-piperidin-1-ylpropanoate;4-methyl-1-(2-piperidin-1-ylpropyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).