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

C23H31N5Si — CID 58512531

IUPACN-(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(Nc3ccc4cc[nH]c4n3)nc21
InChIInChI=1S/C23H31N5Si/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/h7-17H,1-6H3,(H2,24,25,26,27)
InChIKeyQXMXYNKAGBBLLN-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.68
Rot. Bonds6

About N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[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 58512531) has the molecular formula C23H31N5Si and a molecular weight of 405.62 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine
PubChem CID58512531
Molecular FormulaC23H31N5Si
Molecular Weight405.62 g/mol
Exact Mass405.23
IUPAC NameN-(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(Nc3ccc4cc[nH]c4n3)nc21
InChIInChI=1S/C23H31N5Si/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/h7-17H,1-6H3,(H2,24,25,26,27)
InChIKeyQXMXYNKAGBBLLN-UHFFFAOYSA-N
XLogP6.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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 N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine (CID 58512531) is 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 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 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(Nc3ccc4cc[nH]c4n3)nc21.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is QXMXYNKAGBBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5Si/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/h7-17H,1-6H3,(H2,24,25,26,27).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[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 405.62 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 58512531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).