sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane

C87H88Br2Cl4F6IN18NaS2 — CID 160605597

About sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane

sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane (PubChem CID 160605597) has the molecular formula C87H88Br2Cl4F6IN18NaS2 and a molecular weight of 2015.42 g/mol. Its IUPAC name is sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane.

Molecular Properties

• Compound Name: sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane
• PubChem CID: 160605597
• Molecular Formula: C87H88Br2Cl4F6IN18NaS2
• Molecular Weight: 2015.42 g/mol
• Exact Mass: 2010.28
• IUPAC Name: sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane
• SMILES: CCI.CCn1c(C#N)cc2cc(C)ccc21.CCn1c(C#N)cc2cc(CBr)ccc21.CCn1c(C#N)cc2cc(CBr)ccc21.CCn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1ccc2[nH]c(C#N)cc2c1.ClC(Cl)(Cl)Cl.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.[H-].[Na+]
• InChI: InChI=1S/C25H25F3N6S.C13H15F3N4S.2C12H11BrN2.C12H12N2.C10H8N2.C2H5I.CCl4.Na.H/c1-2-34-19(13-29)10-17-9-16(3-4-22(17)34)14-33-7-5-18(6-8-33)32-23-21-11-20(12-25(26,27)28)35-24(21)31-15-30-23;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;2*1-2-15-11(8-14)6-10-5-9(7-13)3-4-12(10)15;1-3-14-11(8-13)7-10-6-9(2)4-5-12(10)14;1-7-2-3-10-8(4-7)5-9(6-11)12-10;1-2-3;2-1(3,4)5;;/h3-4,9-11,15,18H,2,5-8,12,14H2,1H3,(H,30,31,32);5,7-8,17H,1-4,6H2,(H,18,19,20);2*3-6H,2,7H2,1H3;4-7H,3H2,1-2H3;2-5,12H,1H3;2H2,1H3;;;/q;;;;;;;;+1;-1
• InChIKey: GSRVAECWUZZPNF-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 245.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.42
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane?

The IUPAC name of sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane (CID 160605597) is sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane.

What is the SMILES notation for sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane?

The canonical SMILES for sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane is CCI.CCn1c(C#N)cc2cc(C)ccc21.CCn1c(C#N)cc2cc(CBr)ccc21.CCn1c(C#N)cc2cc(CBr)ccc21.CCn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1ccc2[nH]c(C#N)cc2c1.ClC(Cl)(Cl)Cl.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.[H-].[Na+].

What is the InChIKey of sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane?

The InChIKey is GSRVAECWUZZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6S.C13H15F3N4S.2C12H11BrN2.C12H12N2.C10H8N2.C2H5I.CCl4.Na.H/c1-2-34-19(13-29)10-17-9-16(3-4-22(17)34)14-33-7-5-18(6-8-33)32-23-21-11-20(12-25(26,27)28)35-24(21)31-15-30-23;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;2*1-2-15-11(8-14)6-10-5-9(7-13)3-4-12(10)15;1-3-14-11(8-13)7-10-6-9(2)4-5-12(10)14;1-7-2-3-10-8(4-7)5-9(6-11)12-10;1-2-3;2-1(3,4)5;;/h3-4,9-11,15,18H,2,5-8,12,14H2,1H3,(H,30,31,32);5,7-8,17H,1-4,6H2,(H,18,19,20);2*3-6H,2,7H2,1H3;4-7H,3H2,1-2H3;2-5,12H,1H3;2H2,1H3;;;/q;;;;;;;;+1;-1.

What are the key properties of sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane?

sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane has a molecular weight of 2015.42 g/mol, XLogP of 21.83, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(5-(bromomethyl)-1-ethylindole-2-carbonitrile);1-ethyl-5-methylindole-2-carbonitrile;1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;hydride;iodoethane;5-methyl-1H-indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;tetrachloromethane is sourced from PubChem (CID 160605597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).