(6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine

C46H63BrN10Si2 — CID 159039599

IUPAC(6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Nc3ccc4cc[nH]c4n3)nc21.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-14-12-19-8-10-21(27-23(19)28)25-20-9-7-18-11-13-24-22(18)26-20;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,25,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10)
InChIKeyJVWSPDJLKQUDLN-UHFFFAOYSA-N
MW892.16 g/mol
LogP13.65
Rot. Bonds10

About (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine

(6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine (PubChem CID 159039599) has the molecular formula C46H63BrN10Si2 and a molecular weight of 892.16 g/mol. Its IUPAC name is (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name(6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine
PubChem CID159039599
Molecular FormulaC46H63BrN10Si2
Molecular Weight892.16 g/mol
Exact Mass890.40
IUPAC Name(6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Nc3ccc4cc[nH]c4n3)nc21.Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-14-12-19-8-10-21(27-23(19)28)25-20-9-7-18-11-13-24-22(18)26-20;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,25,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10)
InChIKeyJVWSPDJLKQUDLN-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 87663996
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 159646966
Tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110628
Acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110629
Methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110630
Dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110631
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine
CID 58512531
5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 66646829
(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
CID 87769777
2,6,11,15,20,24,29,33,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135440446
6,15,24,33-Tetramethyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135886408
4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;bis(tert-butyl(dimethyl)silane);bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);molecular bromine
CID 157077794

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine?
The IUPAC name of (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine (CID 159039599) is (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine.
What is the SMILES notation for (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine?
The canonical SMILES for (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Nc3ccc4cc[nH]c4n3)nc21.Nc1ccc2cc[nH]c2n1.
What is the InChIKey of (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine?
The InChIKey is JVWSPDJLKQUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5Si.C16H25BrN2Si.C7H7N3/c1-15(2)29(16(3)4,17(5)6)28-14-12-19-8-10-21(27-23(19)28)25-20-9-7-18-11-13-24-22(18)26-20;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;8-6-2-1-5-3-4-9-7(5)10-6/h7-17H,1-6H3,(H2,24,25,26,27);7-13H,1-6H3;1-4H,(H3,8,9,10).
What are the key properties of (6-bromopyrrolo[2,3-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[2,3-b]pyridin-6-amine?
(6-bromopyrrolo[2,3-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[2,3-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[2,3-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[2,3-b]pyridin-6-amine is sourced from PubChem (CID 159039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).