tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol

C155H145BCl10N36O14 — CID 160631865

About tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol

tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol (PubChem CID 160631865) has the molecular formula C155H145BCl10N36O14 and a molecular weight of 3101.44 g/mol. Its IUPAC name is tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol.

Molecular Properties

• Compound Name: tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol
• PubChem CID: 160631865
• Molecular Formula: C155H145BCl10N36O14
• Molecular Weight: 3101.44 g/mol
• Exact Mass: 3094.87
• IUPAC Name: tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol
• SMILES: CC(=O)c1cc(Cl)nc(Cl)n1.CC(O)(c1ccccc1)c1cc(Cl)nc(Cl)n1.CC(O)(c1ccccc1)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COc1nc(-c2cn(C)c3ncc(-c4cnn(C)c4)cc23)cc(C(C)(O)c2ccccc2)n1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)nc(Cl)n2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)nc(Cl)n2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)ncn2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3C(=O)OC(C)(C)C)cn1
• InChI: InChI=1S/C25H24N6O2.2C24H21ClN6O.C24H22N6O.C22H29BN4O4.2C12H10Cl2N2O.C6H4Cl2N2O2.C6H4Cl2N2O/c1-25(32,18-8-6-5-7-9-18)22-11-21(28-24(29-22)33-4)20-15-30(2)23-19(20)10-16(12-26-23)17-13-27-31(3)14-17;2*1-24(32,17-7-5-4-6-8-17)21-10-20(28-23(25)29-21)19-14-30(2)22-18(19)9-15(11-26-22)16-12-27-31(3)13-16;1-24(31,18-7-5-4-6-8-18)22-10-21(26-15-27-22)20-14-29(2)23-19(20)9-16(11-25-23)17-12-28-30(3)13-17;1-20(2,3)29-19(28)27-13-17(23-30-21(4,5)22(6,7)31-23)16-9-14(10-24-18(16)27)15-11-25-26(8)12-15;2*1-12(17,8-5-3-2-4-6-8)9-7-10(13)16-11(14)15-9;1-12-5(11)3-2-4(7)10-6(8)9-3;1-3(11)4-2-5(7)10-6(8)9-4/h5-15,32H,1-4H3;2*4-14,32H,1-3H3;4-15,31H,1-3H3;9-13H,1-8H3;2*2-7,17H,1H3;2H,1H3;2H,1H3
• InChIKey: RIADBHLWDGPCGO-UHFFFAOYSA-N
• XLogP: 29.22
• TPSA: 603.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 25
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3101.44
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol?

The IUPAC name of tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol (CID 160631865) is tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol.

What is the SMILES notation for tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol?

The canonical SMILES for tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol is CC(=O)c1cc(Cl)nc(Cl)n1.CC(O)(c1ccccc1)c1cc(Cl)nc(Cl)n1.CC(O)(c1ccccc1)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COc1nc(-c2cn(C)c3ncc(-c4cnn(C)c4)cc23)cc(C(C)(O)c2ccccc2)n1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)nc(Cl)n2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)nc(Cl)n2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(-c2cc(C(C)(O)c4ccccc4)ncn2)cn3C)cn1.Cn1cc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3C(=O)OC(C)(C)C)cn1.

What is the InChIKey of tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol?

The InChIKey is RIADBHLWDGPCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.2C24H21ClN6O.C24H22N6O.C22H29BN4O4.2C12H10Cl2N2O.C6H4Cl2N2O2.C6H4Cl2N2O/c1-25(32,18-8-6-5-7-9-18)22-11-21(28-24(29-22)33-4)20-15-30(2)23-19(20)10-16(12-26-23)17-13-27-31(3)14-17;2*1-24(32,17-7-5-4-6-8-17)21-10-20(28-23(25)29-21)19-14-30(2)22-18(19)9-15(11-26-22)16-12-27-31(3)13-16;1-24(31,18-7-5-4-6-8-18)22-10-21(26-15-27-22)20-14-29(2)23-19(20)9-16(11-25-23)17-12-28-30(3)13-17;1-20(2,3)29-19(28)27-13-17(23-30-21(4,5)22(6,7)31-23)16-9-14(10-24-18(16)27)15-11-25-26(8)12-15;2*1-12(17,8-5-3-2-4-6-8)9-7-10(13)16-11(14)15-9;1-12-5(11)3-2-4(7)10-6(8)9-3;1-3(11)4-2-5(7)10-6(8)9-4/h5-15,32H,1-4H3;2*4-14,32H,1-3H3;4-15,31H,1-3H3;9-13H,1-8H3;2*2-7,17H,1H3;2H,1H3;2H,1H3.

What are the key properties of tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol?

tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol has a molecular weight of 3101.44 g/mol, XLogP of 29.22, 25 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-(1-methylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;bis(1-[2-chloro-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol);1-(2,6-dichloropyrimidin-4-yl)ethanone;bis(1-(2,6-dichloropyrimidin-4-yl)-1-phenylethanol);1-[2-methoxy-6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol;methyl 2,6-dichloropyrimidine-4-carboxylate;1-[6-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol is sourced from PubChem (CID 160631865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).