(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde

C44H61BrN6O2Si2 — CID 159494906

About (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde (PubChem CID 159494906) has the molecular formula C44H61BrN6O2Si2 and a molecular weight of 842.09 g/mol. Its IUPAC name is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde.

Molecular Properties

• Compound Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde
• PubChem CID: 159494906
• Molecular Formula: C44H61BrN6O2Si2
• Molecular Weight: 842.09 g/mol
• Exact Mass: 840.36
• IUPAC Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde
• SMILES: CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CN(C)c1ccc(C(O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.CN(C)c1ccc(C=O)cc1
• InChI: InChI=1S/C22H31N3OSi.C13H19BrN2Si.C9H11NO/c1-22(2,3)27(6,7)25-13-12-17-14-18(15-23-21(17)25)20(26)16-8-10-19(11-9-16)24(4)5;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-10(2)9-5-3-8(7-11)4-6-9/h8-15,20,26H,1-7H3;6-9H,1-5H3;3-7H,1-2H3
• InChIKey: LYQVBKJFKRYVFZ-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 79.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.09
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde?

The IUPAC name of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde (CID 159494906) is (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde.

What is the SMILES notation for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde?

The canonical SMILES for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde is CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21.CN(C)c1ccc(C(O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.CN(C)c1ccc(C=O)cc1.

What is the InChIKey of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde?

The InChIKey is LYQVBKJFKRYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OSi.C13H19BrN2Si.C9H11NO/c1-22(2,3)27(6,7)25-13-12-17-14-18(15-23-21(17)25)20(26)16-8-10-19(11-9-16)24(4)5;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-10(2)9-5-3-8(7-11)4-6-9/h8-15,20,26H,1-7H3;6-9H,1-5H3;3-7H,1-2H3.

What are the key properties of (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde?

(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde has a molecular weight of 842.09 g/mol, XLogP of 11.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;4-(dimethylamino)benzaldehyde is sourced from PubChem (CID 159494906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).