2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C71H94Cl4F6N7O15P3 — CID 161202766

About 2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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 161202766) has the molecular formula C71H94Cl4F6N7O15P3 and a molecular weight of 1634.29 g/mol. Its IUPAC name is 2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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: 161202766
• Molecular Formula: C71H94Cl4F6N7O15P3
• Molecular Weight: 1634.29 g/mol
• Exact Mass: 1631.47
• IUPAC Name: 2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)nc4n3C)c2Cl)CC1.CCOC(=O)CC1CCNCC1.Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(Cl)ccc(C(=O)O)c1Cl)n2C
• InChI: InChI=1S/C27H26Cl2F3N3O4.C18H11Cl2F3N2O3.C9H17NO2.C9H21O6P3.C8H19N/c1-4-39-21(36)12-15-7-9-35(10-8-15)26(38)16-5-6-18(28)22(23(16)29)24(37)19-13-17-14(2)11-20(27(30,31)32)33-25(17)34(19)3;1-7-5-12(18(21,22)23)24-16-9(7)6-11(25(16)2)15(26)13-10(19)4-3-8(14(13)20)17(27)28;1-2-12-9(11)7-8-3-5-10-6-4-8;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5/h5-6,11,13,15H,4,7-10,12H2,1-3H3;3-6H,1-2H3,(H,27,28);8,10H,2-7H2,1H3;4-9H2,1-3H3;7-8H,6H2,1-5H3
• InChIKey: UVEVKNURHXGQRL-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 274.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.29
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;N-ethyl-N-propan-2-ylpropan-2-amine;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 161202766) is 2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)nc4n3C)c2Cl)CC1.CCOC(=O)CC1CCNCC1.Cc1cc(C(F)(F)F)nc2c1cc(C(=O)c1c(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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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 UVEVKNURHXGQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2F3N3O4.C18H11Cl2F3N2O3.C9H17NO2.C9H21O6P3.C8H19N/c1-4-39-21(36)12-15-7-9-35(10-8-15)26(38)16-5-6-18(28)22(23(16)29)24(37)19-13-17-14(2)11-20(27(30,31)32)33-25(17)34(19)3;1-7-5-12(18(21,22)23)24-16-9(7)6-11(25(16)2)15(26)13-10(19)4-3-8(14(13)20)17(27)28;1-2-12-9(11)7-8-3-5-10-6-4-8;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5/h5-6,11,13,15H,4,7-10,12H2,1-3H3;3-6H,1-2H3,(H,27,28);8,10H,2-7H2,1H3;4-9H2,1-3H3;7-8H,6H2,1-5H3.

What are the key properties of 2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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 1634.29 g/mol, XLogP of 19.30, 21 rotatable bonds, 2 hydrogen bond donors, and 20 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]pyridine-2-carbonyl]benzoic acid;ethyl 2-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carbonyl]benzoyl]piperidin-4-yl]acetate;ethyl 2-piperidin-4-ylacetate;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 161202766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).