(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

C110H142BrF2N25O5Si2 — CID 159289010

About (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (PubChem CID 159289010) has the molecular formula C110H142BrF2N25O5Si2 and a molecular weight of 2068.59 g/mol. Its IUPAC name is (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
• PubChem CID: 159289010
• Molecular Formula: C110H142BrF2N25O5Si2
• Molecular Weight: 2068.59 g/mol
• Exact Mass: 2066.03
• IUPAC Name: (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21.CN(C)CCNc1ccc2c(C#N)c[nH]c2n1.CN(C)CCNc1ccc2c(C#N)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1.CN(C)CCNc1ccc2c(C(N)=O)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1
• InChI: InChI=1S/C31H34FN7O3.C31H32FN7O2.C20H36N4Si.C16H25BrN2Si.C12H15N5/c1-31(2,3)19-13-18-15-35-39(30(42)27(18)23(32)14-19)25-8-6-7-24(22(25)17-40)38-16-21(28(33)41)20-9-10-26(36-29(20)38)34-11-12-37(4)5;1-31(2,3)21-13-19-16-35-39(30(41)28(19)24(32)14-21)26-8-6-7-25(23(26)18-40)38-17-20(15-33)22-9-10-27(36-29(22)38)34-11-12-37(4)5;1-15(2)25(16(3)4,17(5)6)24-13-11-18-9-10-19(22-20(18)24)21-12-14-23(7)8;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;1-17(2)6-5-14-11-4-3-10-9(7-13)8-15-12(10)16-11/h6-10,13-16,40H,11-12,17H2,1-5H3,(H2,33,41)(H,34,36);6-10,13-14,16-17,40H,11-12,18H2,1-5H3,(H,34,36);9-11,13,15-17H,12,14H2,1-8H3,(H,21,22);7-13H,1-6H3;3-4,8H,5-6H2,1-2H3,(H2,14,15,16)
• InChIKey: KZWIJDIQZWPNQS-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 361.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.59
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?

The IUPAC name of (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (CID 159289010) is (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?

The canonical SMILES for (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21.CN(C)CCNc1ccc2c(C#N)c[nH]c2n1.CN(C)CCNc1ccc2c(C#N)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1.CN(C)CCNc1ccc2c(C(N)=O)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1.

What is the InChIKey of (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?

The InChIKey is KZWIJDIQZWPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O3.C31H32FN7O2.C20H36N4Si.C16H25BrN2Si.C12H15N5/c1-31(2,3)19-13-18-15-35-39(30(42)27(18)23(32)14-19)25-8-6-7-24(22(25)17-40)38-16-21(28(33)41)20-9-10-26(36-29(20)38)34-11-12-37(4)5;1-31(2,3)21-13-19-16-35-39(30(41)28(19)24(32)14-21)26-8-6-7-25(23(26)18-40)38-17-20(15-33)22-9-10-27(36-29(22)38)34-11-12-37(4)5;1-15(2)25(16(3)4,17(5)6)24-13-11-18-9-10-19(22-20(18)24)21-12-14-23(7)8;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;1-17(2)6-5-14-11-4-3-10-9(7-13)8-15-12(10)16-11/h6-10,13-16,40H,11-12,17H2,1-5H3,(H2,33,41)(H,34,36);6-10,13-14,16-17,40H,11-12,18H2,1-5H3,(H,34,36);9-11,13,15-17H,12,14H2,1-8H3,(H,21,22);7-13H,1-6H3;3-4,8H,5-6H2,1-2H3,(H2,14,15,16).

What are the key properties of (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?

(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 2068.59 g/mol, XLogP of 20.49, 31 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[2-(dimethylamino)ethylamino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 159289010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).