N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine

C30H42FN7O4SSi — CID 153356927

About N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine

N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine (PubChem CID 153356927) has the molecular formula C30H42FN7O4SSi and a molecular weight of 643.86 g/mol. Its IUPAC name is N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
• PubChem CID: 153356927
• Molecular Formula: C30H42FN7O4SSi
• Molecular Weight: 643.86 g/mol
• Exact Mass: 643.28
• IUPAC Name: N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
• SMILES: COc1cc(-c2cc(F)c3c(c2Nc2nc(S(=O)(=O)N4CC5(CCN(C)C5)C4)nn2COCC[Si](C)(C)C)CCC3)ccn1
• InChI: InChI=1S/C30H42FN7O4SSi/c1-36-12-10-30(17-36)18-37(19-30)43(39,40)29-34-28(38(35-29)20-42-13-14-44(3,4)5)33-27-23-8-6-7-22(23)25(31)16-24(27)21-9-11-32-26(15-21)41-2/h9,11,15-16H,6-8,10,12-14,17-20H2,1-5H3,(H,33,34,35)
• InChIKey: WWIQBVSJEFNUGC-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.86
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?

The IUPAC name of N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine (CID 153356927) is N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine.

What is the SMILES notation for N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?

The canonical SMILES for N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine is COc1cc(-c2cc(F)c3c(c2Nc2nc(S(=O)(=O)N4CC5(CCN(C)C5)C4)nn2COCC[Si](C)(C)C)CCC3)ccn1.

What is the InChIKey of N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?

The InChIKey is WWIQBVSJEFNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN7O4SSi/c1-36-12-10-30(17-36)18-37(19-30)43(39,40)29-34-28(38(35-29)20-42-13-14-44(3,4)5)33-27-23-8-6-7-22(23)25(31)16-24(27)21-9-11-32-26(15-21)41-2/h9,11,15-16H,6-8,10,12-14,17-20H2,1-5H3,(H,33,34,35).

What are the key properties of N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?

N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 643.86 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 153356927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).