tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C92H97Cl12F9N12O10Si — CID 161134829

About tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161134829) has the molecular formula C92H97Cl12F9N12O10Si and a molecular weight of 2155.37 g/mol. Its IUPAC name is tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161134829
• Molecular Formula: C92H97Cl12F9N12O10Si
• Molecular Weight: 2155.37 g/mol
• Exact Mass: 2148.33
• IUPAC Name: tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.C.C.C.C.C.CC(C)(C)[Si](C)(C)Oc1ccc(Cl)cc1Cl.Cn1cc(-c2cnc3[nH]cc(C(=O)c4c(Cl)ccc(OCC(F)(F)F)c4Cl)c3c2)cn1.Cn1cc(-c2cnc3[nH]cc(C(O)c4c(Cl)ccc(OCC(F)(F)F)c4Cl)c3c2)cn1.Cn1cc(-c2cnc3[nH]ccc3c2)cn1.O=Cc1c(Cl)ccc(O)c1Cl.O=Cc1c(Cl)ccc(OCC(F)(F)F)c1Cl.Oc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H15Cl2F3N4O2.C20H13Cl2F3N4O2.C12H18Cl2OSi.C11H10N4.C9H5Cl2F3O2.C7H4Cl2O2.C6H4Cl2O.7CH4/c2*1-29-8-11(6-28-29)10-4-12-13(7-27-19(12)26-5-10)18(30)16-14(21)2-3-15(17(16)22)31-9-20(23,24)25;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;1-15-7-10(6-14-15)9-4-8-2-3-12-11(8)13-5-9;10-6-1-2-7(8(11)5(6)3-15)16-4-9(12,13)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4;;;;;;;/h2-8,18,30H,9H2,1H3,(H,26,27);2-8H,9H2,1H3,(H,26,27);6-8H,1-5H3;2-7H,1H3,(H,12,13);1-3H,4H2;1-3,11H;1-3,9H;7*1H4
• InChIKey: UMQQTLARLYBTNZ-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 288.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2155.37
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161134829) is tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is C.C.C.C.C.C.C.CC(C)(C)[Si](C)(C)Oc1ccc(Cl)cc1Cl.Cn1cc(-c2cnc3[nH]cc(C(=O)c4c(Cl)ccc(OCC(F)(F)F)c4Cl)c3c2)cn1.Cn1cc(-c2cnc3[nH]cc(C(O)c4c(Cl)ccc(OCC(F)(F)F)c4Cl)c3c2)cn1.Cn1cc(-c2cnc3[nH]ccc3c2)cn1.O=Cc1c(Cl)ccc(O)c1Cl.O=Cc1c(Cl)ccc(OCC(F)(F)F)c1Cl.Oc1ccc(Cl)cc1Cl.

What is the InChIKey of tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is UMQQTLARLYBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N4O2.C20H13Cl2F3N4O2.C12H18Cl2OSi.C11H10N4.C9H5Cl2F3O2.C7H4Cl2O2.C6H4Cl2O.7CH4/c2*1-29-8-11(6-28-29)10-4-12-13(7-27-19(12)26-5-10)18(30)16-14(21)2-3-15(17(16)22)31-9-20(23,24)25;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;1-15-7-10(6-14-15)9-4-8-2-3-12-11(8)13-5-9;10-6-1-2-7(8(11)5(6)3-15)16-4-9(12,13)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4;;;;;;;/h2-8,18,30H,9H2,1H3,(H,26,27);2-8H,9H2,1H3,(H,26,27);6-8H,1-5H3;2-7H,1H3,(H,12,13);1-3H,4H2;1-3,11H;1-3,9H;7*1H4.

What are the key properties of tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2155.37 g/mol, XLogP of 31.49, 17 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-(2,4-dichlorophenoxy)-dimethylsilane;2,6-dichloro-3-hydroxybenzaldehyde;2,4-dichlorophenol;2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol;[2,6-dichloro-3-(2,2,2-trifluoroethoxy)phenyl]-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161134829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).