(4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide

C33H45N5O2SSi — CID 140798313

About (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide

(4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide (PubChem CID 140798313) has the molecular formula C33H45N5O2SSi and a molecular weight of 603.91 g/mol. Its IUPAC name is (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide.

Molecular Properties

• Compound Name: (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide
• PubChem CID: 140798313
• Molecular Formula: C33H45N5O2SSi
• Molecular Weight: 603.91 g/mol
• Exact Mass: 603.31
• IUPAC Name: (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide
• SMILES: CC(C)(C[C@H](c1cccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1)C1CCC1)S(N)=O
• InChI: InChI=1S/C33H45N5O2SSi/c1-32(2,3)42(6,7)40-22-26-13-9-16-31(36-26)38-30-19-24(17-18-25(30)21-35-38)28-14-10-15-29(37-28)27(23-11-8-12-23)20-33(4,5)41(34)39/h9-10,13-19,21,23,27H,8,11-12,20,22,34H2,1-7H3/t27-,41?/m0/s1
• InChIKey: FZELKPGJYISBTF-VNFCCXQASA-N
• XLogP: 7.68
• TPSA: 95.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.91
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide?

The IUPAC name of (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide (CID 140798313) is (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide.

What is the SMILES notation for (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide?

The canonical SMILES for (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide is CC(C)(C[C@H](c1cccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1)C1CCC1)S(N)=O.

What is the InChIKey of (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide?

The InChIKey is FZELKPGJYISBTF-VNFCCXQASA-N. The full InChI is InChI=1S/C33H45N5O2SSi/c1-32(2,3)42(6,7)40-22-26-13-9-16-31(36-26)38-30-19-24(17-18-25(30)21-35-38)28-14-10-15-29(37-28)27(23-11-8-12-23)20-33(4,5)41(34)39/h9-10,13-19,21,23,27H,8,11-12,20,22,34H2,1-7H3/t27-,41?/m0/s1.

What are the key properties of (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide?

(4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide has a molecular weight of 603.91 g/mol, XLogP of 7.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-4-cyclobutyl-2-methylbutane-2-sulfinamide is sourced from PubChem (CID 140798313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).