CID 69363059

C24H33ClN5O2Si — CID 69363059

IUPAC—
SMILESC[Si](C)OC1(Nc2ncc3c(n2)NC(=O)N(c2ccccc2Cl)C3)CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H33ClN5O2Si/c1-23(2,3)17-10-12-24(13-11-17,32-33(4)5)29-21-26-14-16-15-30(22(31)28-20(16)27-21)19-9-7-6-8-18(19)25/h6-9,14,17H,10-13,15H2,1-5H3,(H2,26,27,28,29,31)
InChIKeySQCNTZCNHJYBJY-UHFFFAOYSA-N
MW487.10 g/mol
LogP6.29
Rot. Bonds5

About CID 69363059

CID 69363059 (PubChem CID 69363059) has the molecular formula C24H33ClN5O2Si and a molecular weight of 487.10 g/mol.

Molecular Properties

Compound NameCID 69363059
PubChem CID69363059
Molecular FormulaC24H33ClN5O2Si
Molecular Weight487.10 g/mol
Exact Mass486.21
IUPAC Name—
SMILESC[Si](C)OC1(Nc2ncc3c(n2)NC(=O)N(c2ccccc2Cl)C3)CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H33ClN5O2Si/c1-23(2,3)17-10-12-24(13-11-17,32-33(4)5)29-21-26-14-16-15-30(22(31)28-20(16)27-21)19-9-7-6-8-18(19)25/h6-9,14,17H,10-13,15H2,1-5H3,(H2,26,27,28,29,31)
InChIKeySQCNTZCNHJYBJY-UHFFFAOYSA-N
XLogP6.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.10
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 69363059?
The IUPAC name of CID 69363059 (CID 69363059) is not available.
What is the SMILES notation for CID 69363059?
The canonical SMILES for CID 69363059 is C[Si](C)OC1(Nc2ncc3c(n2)NC(=O)N(c2ccccc2Cl)C3)CCC(C(C)(C)C)CC1.
What is the InChIKey of CID 69363059?
The InChIKey is SQCNTZCNHJYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN5O2Si/c1-23(2,3)17-10-12-24(13-11-17,32-33(4)5)29-21-26-14-16-15-30(22(31)28-20(16)27-21)19-9-7-6-8-18(19)25/h6-9,14,17H,10-13,15H2,1-5H3,(H2,26,27,28,29,31).
What are the key properties of CID 69363059?
CID 69363059 has a molecular weight of 487.10 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69363059 is sourced from PubChem (CID 69363059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).