sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C118H138Cl3F9N23NaO7S3 — CID 160833918

About sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 160833918) has the molecular formula C118H138Cl3F9N23NaO7S3 and a molecular weight of 2387.09 g/mol. Its IUPAC name is sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 160833918
• Molecular Formula: C118H138Cl3F9N23NaO7S3
• Molecular Weight: 2387.09 g/mol
• Exact Mass: 2383.91
• IUPAC Name: sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: C1CCNCC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC(=O)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(=O)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1ccn2CC(=O)N1CCCCC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=C(CCl)N1CCCCC1.O=C(Cl)CCl.[H-].[Na+]
• InChI: InChI=1S/C31H34F3N7OS.C30H35F3N6OS.C18H19N3O2.C13H15F3N4S.C12H9NO.C7H12ClNO.C5H11N.C2H2Cl2O.Na.H/c1-20-21(5-6-27-25(20)13-23(16-35)41(27)18-28(42)40-9-3-2-4-10-40)17-39-11-7-22(8-12-39)38-29-26-14-24(15-31(32,33)34)43-30(26)37-19-36-29;1-20-21(5-6-26-24(20)9-14-39(26)18-27(40)38-10-3-2-4-11-38)17-37-12-7-22(8-13-37)36-28-25-15-23(16-30(31,32)33)41-29(25)35-19-34-28;1-13-14(12-22)5-6-17-16(13)9-15(10-19)21(17)11-18(23)20-7-3-2-4-8-20;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;8-6-7(10)9-4-2-1-3-5-9;1-2-4-6-5-3-1;3-1-2(4)5;;/h5-6,13-14,19,22H,2-4,7-12,15,17-18H2,1H3,(H,36,37,38);5-6,9,14-15,19,22H,2-4,7-8,10-13,16-18H2,1H3,(H,34,35,36);5-6,9,12H,2-4,7-8,11H2,1H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;1-6H2;6H,1-5H2;1H2;;/q;;;;;;;;+1;-1
• InChIKey: GKBGOZPTTIAVPG-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 362.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.09
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 160833918) is sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is C1CCNCC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC(=O)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(=O)N1CCCCC1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1ccn2CC(=O)N1CCCCC1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=C(CCl)N1CCCCC1.O=C(Cl)CCl.[H-].[Na+].

What is the InChIKey of sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is GKBGOZPTTIAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7OS.C30H35F3N6OS.C18H19N3O2.C13H15F3N4S.C12H9NO.C7H12ClNO.C5H11N.C2H2Cl2O.Na.H/c1-20-21(5-6-27-25(20)13-23(16-35)41(27)18-28(42)40-9-3-2-4-10-40)17-39-11-7-22(8-12-39)38-29-26-14-24(15-31(32,33)34)43-30(26)37-19-36-29;1-20-21(5-6-26-24(20)9-14-39(26)18-27(40)38-10-3-2-4-11-38)17-37-12-7-22(8-13-37)36-28-25-15-23(16-30(31,32)33)41-29(25)35-19-34-28;1-13-14(12-22)5-6-17-16(13)9-15(10-19)21(17)11-18(23)20-7-3-2-4-8-20;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;8-6-7(10)9-4-2-1-3-5-9;1-2-4-6-5-3-1;3-1-2(4)5;;/h5-6,13-14,19,22H,2-4,7-12,15,17-18H2,1H3,(H,36,37,38);5-6,9,14-15,19,22H,2-4,7-8,10-13,16-18H2,1H3,(H,34,35,36);5-6,9,12H,2-4,7-8,11H2,1H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;1-6H2;6H,1-5H2;1H2;;/q;;;;;;;;+1;-1.

What are the key properties of sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2387.09 g/mol, XLogP of 20.15, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-chloroacetyl chloride;2-chloro-1-piperidin-1-ylethanone;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)indole-2-carbonitrile;hydride;4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2-[4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-1-piperidin-1-ylethanone;piperidine;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160833918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).