CID 170792683

C30H35N2O5Si — CID 170792683

IUPAC—
SMILESCc1cc(-c2ccc(C#C[C@@H](CO)n3ccnc3[Si](C)OC3CCCCO3)cc2)ccc1O[C@H]1CCOC1
InChIInChI=1S/C30H35N2O5Si/c1-22-19-25(11-13-28(22)36-27-14-18-34-21-27)24-9-6-23(7-10-24)8-12-26(20-33)32-16-15-31-30(32)38(2)37-29-5-3-4-17-35-29/h6-7,9-11,13,15-16,19,26-27,29,33H,3-5,14,17-18,20-21H2,1-2H3/t26-,27-,29?/m0/s1
InChIKeyYEJWQLKIFYXFMU-DARYULOESA-N
MW531.71 g/mol
LogP3.98
Rot. Bonds8

About CID 170792683

CID 170792683 (PubChem CID 170792683) has the molecular formula C30H35N2O5Si and a molecular weight of 531.71 g/mol.

Molecular Properties

Compound NameCID 170792683
PubChem CID170792683
Molecular FormulaC30H35N2O5Si
Molecular Weight531.71 g/mol
Exact Mass531.23
IUPAC Name—
SMILESCc1cc(-c2ccc(C#C[C@@H](CO)n3ccnc3[Si](C)OC3CCCCO3)cc2)ccc1O[C@H]1CCOC1
InChIInChI=1S/C30H35N2O5Si/c1-22-19-25(11-13-28(22)36-27-14-18-34-21-27)24-9-6-23(7-10-24)8-12-26(20-33)32-16-15-31-30(32)38(2)37-29-5-3-4-17-35-29/h6-7,9-11,13,15-16,19,26-27,29,33H,3-5,14,17-18,20-21H2,1-2H3/t26-,27-,29?/m0/s1
InChIKeyYEJWQLKIFYXFMU-DARYULOESA-N
XLogP3.98
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.71
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 170792683 with MolForge

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

Launch Full Analysis

Related Compounds

CID 177228157
CID 177228157
(2S)-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]-4-[4-[4-[(4R)-4-(trifluoromethoxy)oxolan-3-yl]oxyphenyl]phenyl]but-3-yn-1-ol
CID 170792786
(2S)-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]-4-[4-[4-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]oxyphenyl]phenyl]but-3-yn-1-ol
CID 170792596
(4R)-3-[4-[4-[(3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-ynyl]phenyl]phenoxy]oxan-4-ol
CID 170792487
(2S)-4-[4-[4-(3-methyloxetan-3-yl)oxyphenyl]phenyl]-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]but-3-yn-1-ol
CID 170792750
CID 177227528
CID 177227528
4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
CID 63563810
CID 177228116
CID 177228116
(3S)-5-(4-bromophenyl)-3-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]pent-4-yn-1-ol
CID 170943114
4-[4-(4-cyclobutyloxyphenyl)phenyl]-2-[2-(hydroxymethyl)imidazol-1-yl]but-3-yn-1-ol;2-(methylamino)acetonitrile
CID 170792795
[(2S)-4-(4-bromophenyl)-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]but-3-ynyl]carbamic acid
CID 174235084
4-[3-methyl-4-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
CID 63937286

Frequently Asked Questions

What is the IUPAC name of CID 170792683?
The IUPAC name of CID 170792683 (CID 170792683) is not available.
What is the SMILES notation for CID 170792683?
The canonical SMILES for CID 170792683 is Cc1cc(-c2ccc(C#C[C@@H](CO)n3ccnc3[Si](C)OC3CCCCO3)cc2)ccc1O[C@H]1CCOC1.
What is the InChIKey of CID 170792683?
The InChIKey is YEJWQLKIFYXFMU-DARYULOESA-N. The full InChI is InChI=1S/C30H35N2O5Si/c1-22-19-25(11-13-28(22)36-27-14-18-34-21-27)24-9-6-23(7-10-24)8-12-26(20-33)32-16-15-31-30(32)38(2)37-29-5-3-4-17-35-29/h6-7,9-11,13,15-16,19,26-27,29,33H,3-5,14,17-18,20-21H2,1-2H3/t26-,27-,29?/m0/s1.
What are the key properties of CID 170792683?
CID 170792683 has a molecular weight of 531.71 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170792683 is sourced from PubChem (CID 170792683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).