[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone

C35H38FN5O5Si — CID 123495312

About [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 123495312) has the molecular formula C35H38FN5O5Si and a molecular weight of 655.80 g/mol. Its IUPAC name is [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
• PubChem CID: 123495312
• Molecular Formula: C35H38FN5O5Si
• Molecular Weight: 655.80 g/mol
• Exact Mass: 655.26
• IUPAC Name: [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
• SMILES: C[Si](C)(C)CCOCn1c(C(=O)c2cnn(-c3ccc(Oc4ccccc4)cc3F)c2N)cc2cc(C(=O)N3CCOCC3)ccc21
• InChI: InChI=1S/C35H38FN5O5Si/c1-47(2,3)18-17-45-23-40-30-11-9-24(35(43)39-13-15-44-16-14-39)19-25(30)20-32(40)33(42)28-22-38-41(34(28)37)31-12-10-27(21-29(31)36)46-26-7-5-4-6-8-26/h4-12,19-22H,13-18,23,37H2,1-3H3
• InChIKey: QAJWCWSKQAHDRE-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.80
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The IUPAC name of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (CID 123495312) is [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is C[Si](C)(C)CCOCn1c(C(=O)c2cnn(-c3ccc(Oc4ccccc4)cc3F)c2N)cc2cc(C(=O)N3CCOCC3)ccc21.

What is the InChIKey of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The InChIKey is QAJWCWSKQAHDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FN5O5Si/c1-47(2,3)18-17-45-23-40-30-11-9-24(35(43)39-13-15-44-16-14-39)19-25(30)20-32(40)33(42)28-22-38-41(34(28)37)31-12-10-27(21-29(31)36)46-26-7-5-4-6-8-26/h4-12,19-22H,13-18,23,37H2,1-3H3.

What are the key properties of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 655.80 g/mol, XLogP of 6.36, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 123495312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).