2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C69H94Cl4F6N7O13P3 — CID 158415149

About 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 158415149) has the molecular formula C69H94Cl4F6N7O13P3 and a molecular weight of 1578.27 g/mol. Its IUPAC name is 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

• Compound Name: 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• PubChem CID: 158415149
• Molecular Formula: C69H94Cl4F6N7O13P3
• Molecular Weight: 1578.27 g/mol
• Exact Mass: 1575.48
• IUPAC Name: 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• SMILES: CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)nc4n3C)c2Cl)CC1.CCOC(=O)C1CCNCC1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)O)c1Cl)n2C
• InChI: InChI=1S/C26H26Cl2F3N3O3.C18H13Cl2F3N2O2.C9H21O6P3.C8H15NO2.C8H19N/c1-4-37-25(36)15-7-9-34(10-8-15)24(35)17-5-6-20(27)19(22(17)28)13-16-12-18-14(2)11-21(26(29,30)31)32-23(18)33(16)3;1-8-5-14(18(21,22)23)24-16-11(8)6-9(25(16)2)7-12-13(19)4-3-10(15(12)20)17(26)27;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-2-11-8(10)7-3-5-9-6-4-7;1-6-9(7(2)3)8(4)5/h5-6,11-12,15H,4,7-10,13H2,1-3H3;3-6H,7H2,1-2H3,(H,26,27);4-9H2,1-3H3;7,9H,2-6H2,1H3;7-8H,6H2,1-5H3
• InChIKey: GZUJVAMBMSEYLR-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 240.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.27
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The IUPAC name of 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 158415149) is 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

What is the SMILES notation for 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The canonical SMILES for 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)nc4n3C)c2Cl)CC1.CCOC(=O)C1CCNCC1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ccc(C(=O)O)c1Cl)n2C.

What is the InChIKey of 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The InChIKey is GZUJVAMBMSEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F3N3O3.C18H13Cl2F3N2O2.C9H21O6P3.C8H15NO2.C8H19N/c1-4-37-25(36)15-7-9-34(10-8-15)24(35)17-5-6-20(27)19(22(17)28)13-16-12-18-14(2)11-21(26(29,30)31)32-23(18)33(16)3;1-8-5-14(18(21,22)23)24-16-11(8)6-9(25(16)2)7-12-13(19)4-3-10(15(12)20)17(26)27;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-2-11-8(10)7-3-5-9-6-4-7;1-6-9(7(2)3)8(4)5/h5-6,11-12,15H,4,7-10,13H2,1-3H3;3-6H,7H2,1-2H3,(H,26,27);4-9H2,1-3H3;7,9H,2-6H2,1H3;7-8H,6H2,1-5H3.

What are the key properties of 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 1578.27 g/mol, XLogP of 19.24, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoic acid;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 158415149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).