N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide

C23H31N3OSi — CID 86708845

IUPACN-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(=O)Nc3ccccc3)ccnc21
InChIInChI=1S/C23H31N3OSi/c1-16(2)28(17(3)4,18(5)6)26-15-13-20-21(12-14-24-22(20)26)23(27)25-19-10-8-7-9-11-19/h7-18H,1-6H3,(H,25,27)
InChIKeyMQVHFSQLRDJAIE-UHFFFAOYSA-N
MW393.61 g/mol
LogP6.31
Rot. Bonds6

About N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide

N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 86708845) has the molecular formula C23H31N3OSi and a molecular weight of 393.61 g/mol. Its IUPAC name is N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID86708845
Molecular FormulaC23H31N3OSi
Molecular Weight393.61 g/mol
Exact Mass393.22
IUPAC NameN-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(=O)Nc3ccccc3)ccnc21
InChIInChI=1S/C23H31N3OSi/c1-16(2)28(17(3)4,18(5)6)26-15-13-20-21(12-14-24-22(20)26)23(27)25-19-10-8-7-9-11-19/h7-18H,1-6H3,(H,25,27)
InChIKeyMQVHFSQLRDJAIE-UHFFFAOYSA-N
XLogP6.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide (CID 86708845) is N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(=O)Nc3ccccc3)ccnc21.
What is the InChIKey of N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is MQVHFSQLRDJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OSi/c1-16(2)28(17(3)4,18(5)6)26-15-13-20-21(12-14-24-22(20)26)23(27)25-19-10-8-7-9-11-19/h7-18H,1-6H3,(H,25,27).
What are the key properties of N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide?
N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 393.61 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 86708845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).