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

C31H44N6O2SSi — CID 140798262

IUPAC(R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@@H](N[S@](=O)C(C)(C)C)c1nccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
InChIInChI=1S/C31H44N6O2SSi/c1-10-12-26(36-40(38)30(2,3)4)29-32-18-17-25(35-29)22-15-16-23-20-33-37(27(23)19-22)28-14-11-13-24(34-28)21-39-41(8,9)31(5,6)7/h11,13-20,26,36H,10,12,21H2,1-9H3/t26-,40-/m1/s1
InChIKeyXLTNNQITVUGNFL-ZCQGCHJCSA-N
MW592.89 g/mol
LogP7.29
Rot. Bonds10

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

(R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide (PubChem CID 140798262) has the molecular formula C31H44N6O2SSi and a molecular weight of 592.89 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide
PubChem CID140798262
Molecular FormulaC31H44N6O2SSi
Molecular Weight592.89 g/mol
Exact Mass592.30
IUPAC Name(R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@@H](N[S@](=O)C(C)(C)C)c1nccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1
InChIInChI=1S/C31H44N6O2SSi/c1-10-12-26(36-40(38)30(2,3)4)29-32-18-17-25(35-29)22-15-16-23-20-33-37(27(23)19-22)28-14-11-13-24(34-28)21-39-41(8,9)31(5,6)7/h11,13-20,26,36H,10,12,21H2,1-9H3/t26-,40-/m1/s1
InChIKeyXLTNNQITVUGNFL-ZCQGCHJCSA-N
XLogP7.29
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.89
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide (CID 140798262) is (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide is CCC[C@@H](N[S@](=O)C(C)(C)C)c1nccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)n1.
What is the InChIKey of (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XLTNNQITVUGNFL-ZCQGCHJCSA-N. The full InChI is InChI=1S/C31H44N6O2SSi/c1-10-12-26(36-40(38)30(2,3)4)29-32-18-17-25(35-29)22-15-16-23-20-33-37(27(23)19-22)28-14-11-13-24(34-28)21-39-41(8,9)31(5,6)7/h11,13-20,26,36H,10,12,21H2,1-9H3/t26-,40-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 592.89 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[4-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-6-yl]pyrimidin-2-yl]butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140798262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).