CID 10323493

C22H38N4O5Si2 — CID 10323493

IUPAC—
SMILES[C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C22H38N4O5Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(24-9)21(29-17)26-11-10-18(23)25-22(26)27/h10-11,13-17,19-21H,12H2,1-8H3,(H2,23,25,27)/t17-,19-,20-,21-/m1/s1
InChIKeySWHYRWVTAAKEMS-CWJKEVGVSA-N
MW494.74 g/mol
LogP3.50
Rot. Bonds6

About CID 10323493

CID 10323493 (PubChem CID 10323493) has the molecular formula C22H38N4O5Si2 and a molecular weight of 494.74 g/mol.

Molecular Properties

Compound NameCID 10323493
PubChem CID10323493
Molecular FormulaC22H38N4O5Si2
Molecular Weight494.74 g/mol
Exact Mass494.24
IUPAC Name—
SMILES[C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C22H38N4O5Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(24-9)21(29-17)26-11-10-18(23)25-22(26)27/h10-11,13-17,19-21H,12H2,1-8H3,(H2,23,25,27)/t17-,19-,20-,21-/m1/s1
InChIKeySWHYRWVTAAKEMS-CWJKEVGVSA-N
XLogP3.50
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 10323493 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 10480929
CID 10480929
1-[(6aR,9aR)-9,9-difluoro-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-aminopyrimidin-2-one
CID 90427328
N-[1-[(6aR,8R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide
CID 59253651
1-[(6aS,8R,9R,9aS)-6-acetyl-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-aminopyrimidin-2-one
CID 22875272
N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide
CID 143888923
1-[(6aR,8R,9S,9aR)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-sulfanylidenepyrimidin-2-one
CID 131748883
1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-(2,3,4,5-13C4)furano[3,2-f](6,7,8-13C3)[1,3,5,2,4]trioxadisilocin-8-yl](1,3-15N2)pyrimidine-2,4-dione
CID 131709876
1-[(6aR,8R,9R,9aR)-9-bromo-9-deuterio-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
CID 11114337
1-[(6aR,8R,9S,9aS)-2,2,4,4-tetratert-butyl-9-hydroxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-aminopyrimidin-2-one
CID 129404036
(6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
CID 167492254
1-[(6aR,8R,9R)-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
CID 67978363
[(6aR,8R,9S,9aR)-8-(4-benzamido-2-oxopyrimidin-1-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] benzoate
CID 58364675

Frequently Asked Questions

What is the IUPAC name of CID 10323493?
The IUPAC name of CID 10323493 (CID 10323493) is not available.
What is the SMILES notation for CID 10323493?
The canonical SMILES for CID 10323493 is [C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of CID 10323493?
The InChIKey is SWHYRWVTAAKEMS-CWJKEVGVSA-N. The full InChI is InChI=1S/C22H38N4O5Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(24-9)21(29-17)26-11-10-18(23)25-22(26)27/h10-11,13-17,19-21H,12H2,1-8H3,(H2,23,25,27)/t17-,19-,20-,21-/m1/s1.
What are the key properties of CID 10323493?
CID 10323493 has a molecular weight of 494.74 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10323493 is sourced from PubChem (CID 10323493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).