N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine

C29H36ClFN4OSi — CID 69109078

About N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine

N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine (PubChem CID 69109078) has the molecular formula C29H36ClFN4OSi and a molecular weight of 539.17 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
• PubChem CID: 69109078
• Molecular Formula: C29H36ClFN4OSi
• Molecular Weight: 539.17 g/mol
• Exact Mass: 538.23
• IUPAC Name: N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(COc2ccc(NCc3ccccc3Cl)nc2F)c2cccnc21
• InChI: InChI=1S/C29H36ClFN4OSi/c1-19(2)37(20(3)4,21(5)6)35-17-23(24-11-9-15-32-29(24)35)18-36-26-13-14-27(34-28(26)31)33-16-22-10-7-8-12-25(22)30/h7-15,17,19-21H,16,18H2,1-6H3,(H,33,34)
• InChIKey: AVXVFJVYPGNWKA-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 51.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.17
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine (CID 69109078) is N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine is CC(C)[Si](C(C)C)(C(C)C)n1cc(COc2ccc(NCc3ccccc3Cl)nc2F)c2cccnc21.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?

The InChIKey is AVXVFJVYPGNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClFN4OSi/c1-19(2)37(20(3)4,21(5)6)35-17-23(24-11-9-15-32-29(24)35)18-36-26-13-14-27(34-28(26)31)33-16-22-10-7-8-12-25(22)30/h7-15,17,19-21H,16,18H2,1-6H3,(H,33,34).

What are the key properties of N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine?

N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine has a molecular weight of 539.17 g/mol, XLogP of 8.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-6-fluoro-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methoxy]pyridin-2-amine is sourced from PubChem (CID 69109078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).