(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide

C33H46N4O2SSi — CID 140798435

IUPAC(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)n1
InChIInChI=1S/C33H46N4O2SSi/c1-10-13-30(36-40(38)32(2,3)4)29-17-12-16-28(35-29)25-18-19-26-22-34-37(31(26)21-25)27-15-11-14-24(20-27)23-39-41(8,9)33(5,6)7/h11-12,14-22,30,36H,10,13,23H2,1-9H3/t30-,40+/m0/s1
InChIKeyKTNYMOJPQYGAAX-KSXAPKRDSA-N
MW590.91 g/mol
LogP8.50
Rot. Bonds10

About (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide (PubChem CID 140798435) has the molecular formula C33H46N4O2SSi and a molecular weight of 590.91 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
PubChem CID140798435
Molecular FormulaC33H46N4O2SSi
Molecular Weight590.91 g/mol
Exact Mass590.31
IUPAC Name(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)n1
InChIInChI=1S/C33H46N4O2SSi/c1-10-13-30(36-40(38)32(2,3)4)29-17-12-16-28(35-29)25-18-19-26-22-34-37(31(26)21-25)27-15-11-14-24(20-27)23-39-41(8,9)33(5,6)7/h11-12,14-22,30,36H,10,13,23H2,1-9H3/t30-,40+/m0/s1
InChIKeyKTNYMOJPQYGAAX-KSXAPKRDSA-N
XLogP8.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.91
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide (CID 140798435) is (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide is CCC[C@H](N[S@](=O)C(C)(C)C)c1cccc(-c2ccc3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)n1.
What is the InChIKey of (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KTNYMOJPQYGAAX-KSXAPKRDSA-N. The full InChI is InChI=1S/C33H46N4O2SSi/c1-10-13-30(36-40(38)32(2,3)4)29-17-12-16-28(35-29)25-18-19-26-22-34-37(31(26)21-25)27-15-11-14-24(20-27)23-39-41(8,9)33(5,6)7/h11-12,14-22,30,36H,10,13,23H2,1-9H3/t30-,40+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 590.91 g/mol, XLogP of 8.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[6-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140798435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).