(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide

C41H65N5O5SSi2 — CID 154403006

IUPAC(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
SMILESCOCCOc1cc(-c2cccc([C@H](CCCO[Si](C)(C)C(C)(C)C)N[S@](=O)C(C)(C)C)n2)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C41H65N5O5SSi2/c1-39(2,3)52(47)45-35(21-17-23-50-53(11,12)40(4,5)6)34-20-16-19-33(44-34)30-26-36-32(37(27-30)49-25-24-48-10)28-42-46(36)38-22-15-18-31(43-38)29-51-54(13,14)41(7,8)9/h15-16,18-20,22,26-28,35,45H,17,21,23-25,29H2,1-14H3/t35-,52+/m0/s1
InChIKeyZWXLQWFGJUWXIH-KGPSELMDSA-N
MW796.24 g/mol
LogP9.92
Rot. Bonds17

About (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide (PubChem CID 154403006) has the molecular formula C41H65N5O5SSi2 and a molecular weight of 796.24 g/mol. Its IUPAC name is (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
PubChem CID154403006
Molecular FormulaC41H65N5O5SSi2
Molecular Weight796.24 g/mol
Exact Mass795.42
IUPAC Name(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
SMILESCOCCOc1cc(-c2cccc([C@H](CCCO[Si](C)(C)C(C)(C)C)N[S@](=O)C(C)(C)C)n2)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C41H65N5O5SSi2/c1-39(2,3)52(47)45-35(21-17-23-50-53(11,12)40(4,5)6)34-20-16-19-33(44-34)30-26-36-32(37(27-30)49-25-24-48-10)28-42-46(36)38-22-15-18-31(43-38)29-51-54(13,14)41(7,8)9/h15-16,18-20,22,26-28,35,45H,17,21,23-25,29H2,1-14H3/t35-,52+/m0/s1
InChIKeyZWXLQWFGJUWXIH-KGPSELMDSA-N
XLogP9.92
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.24
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide (CID 154403006) is (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide is COCCOc1cc(-c2cccc([C@H](CCCO[Si](C)(C)C(C)(C)C)N[S@](=O)C(C)(C)C)n2)cc2c1cnn2-c1cccc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZWXLQWFGJUWXIH-KGPSELMDSA-N. The full InChI is InChI=1S/C41H65N5O5SSi2/c1-39(2,3)52(47)45-35(21-17-23-50-53(11,12)40(4,5)6)34-20-16-19-33(44-34)30-26-36-32(37(27-30)49-25-24-48-10)28-42-46(36)38-22-15-18-31(43-38)29-51-54(13,14)41(7,8)9/h15-16,18-20,22,26-28,35,45H,17,21,23-25,29H2,1-14H3/t35-,52+/m0/s1.
What are the key properties of (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 796.24 g/mol, XLogP of 9.92, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154403006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).