(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine

C46H63BrN10Si2 — CID 159057108

IUPAC(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Br)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Nc3ccc4cc[nH]c4n3)cc21.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-12-10-20-21(28)13-19(14-25-20)26-22-8-7-18-9-11-24-23(18)27-22;1-11(2)20(12(3)4,13(5)6)19-8-7-15-16(19)9-14(17)10-18-15;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10)
InChIKeyJXZMLEUMLVYENU-UHFFFAOYSA-N
MW892.16 g/mol
LogP13.65
Rot. Bonds10

About (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine

(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine (PubChem CID 159057108) has the molecular formula C46H63BrN10Si2 and a molecular weight of 892.16 g/mol. Its IUPAC name is (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine.

Molecular Properties

Compound Name(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine
PubChem CID159057108
Molecular FormulaC46H63BrN10Si2
Molecular Weight892.16 g/mol
Exact Mass890.40
IUPAC Name(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Br)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Nc3ccc4cc[nH]c4n3)cc21.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-12-10-20-21(28)13-19(14-25-20)26-22-8-7-18-9-11-24-23(18)27-22;1-11(2)20(12(3)4,13(5)6)19-8-7-15-16(19)9-14(17)10-18-15;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10)
InChIKeyJXZMLEUMLVYENU-UHFFFAOYSA-N
XLogP13.65
TPSA131.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine?
The IUPAC name of (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine (CID 159057108) is (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine.
What is the SMILES notation for (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine?
The canonical SMILES for (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Br)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Nc3ccc4cc[nH]c4n3)cc21.Nc1ccc2cc[nH]c2n1.
What is the InChIKey of (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine?
The InChIKey is JXZMLEUMLVYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-12-10-20-21(28)13-19(14-25-20)26-22-8-7-18-9-11-24-23(18)27-22;1-11(2)20(12(3)4,13(5)6)19-8-7-15-16(19)9-14(17)10-18-15;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10).
What are the key properties of (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine?
(6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine has a molecular weight of 892.16 g/mol, XLogP of 13.65, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridin-6-amine;N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[3,2-b]pyridin-6-amine is sourced from PubChem (CID 159057108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).