[2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone

C37H43F2N5O5Si — CID 163751630

About [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 163751630) has the molecular formula C37H43F2N5O5Si and a molecular weight of 703.86 g/mol. Its IUPAC name is [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
• PubChem CID: 163751630
• Molecular Formula: C37H43F2N5O5Si
• Molecular Weight: 703.86 g/mol
• Exact Mass: 703.30
• IUPAC Name: [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
• SMILES: Cc1cc(OC2=CCC(C)C(F)=C2F)ccc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3n2COCC[Si](C)(C)C)c1N
• InChI: InChI=1S/C37H43F2N5O5Si/c1-23-6-11-32(34(39)33(23)38)49-27-8-10-29(24(2)18-27)44-36(40)28(21-41-44)35(45)31-20-26-19-25(37(46)42-12-14-47-15-13-42)7-9-30(26)43(31)22-48-16-17-50(3,4)5/h7-11,18-21,23H,6,12-17,22,40H2,1-5H3
• InChIKey: LQLWTUXORDOBEX-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.86
LogP ≤ 5	7.19
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-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The IUPAC name of [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (CID 163751630) is [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is Cc1cc(OC2=CCC(C)C(F)=C2F)ccc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3n2COCC[Si](C)(C)C)c1N.

What is the InChIKey of [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

The InChIKey is LQLWTUXORDOBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43F2N5O5Si/c1-23-6-11-32(34(39)33(23)38)49-27-8-10-29(24(2)18-27)44-36(40)28(21-41-44)35(45)31-20-26-19-25(37(46)42-12-14-47-15-13-42)7-9-30(26)43(31)22-48-16-17-50(3,4)5/h7-11,18-21,23H,6,12-17,22,40H2,1-5H3.

What are the key properties of [2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?

[2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 703.86 g/mol, XLogP of 7.19, 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-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163751630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).