CID 162381229

C15H20N5O3Si — CID 162381229

IUPAC—
SMILESC#Cc1nn([Si]2C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H20N5O3Si/c1-5-11-13(14(16)22)15(17-3)20(18-11)24-8-10(7-23-4)19(9-24)12(21)6-2/h1,6,10,17H,2,7-9H2,3-4H3,(H2,16,22)/t10-/m0/s1
InChIKeyBKBOBBLQCMWRQP-JTQLQIEISA-N
MW346.44 g/mol
LogP-0.57
Rot. Bonds6

About CID 162381229

CID 162381229 (PubChem CID 162381229) has the molecular formula C15H20N5O3Si and a molecular weight of 346.44 g/mol.

Molecular Properties

Compound NameCID 162381229
PubChem CID162381229
Molecular FormulaC15H20N5O3Si
Molecular Weight346.44 g/mol
Exact Mass346.13
IUPAC Name—
SMILESC#Cc1nn([Si]2C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H20N5O3Si/c1-5-11-13(14(16)22)15(17-3)20(18-11)24-8-10(7-23-4)19(9-24)12(21)6-2/h1,6,10,17H,2,7-9H2,3-4H3,(H2,16,22)/t10-/m0/s1
InChIKeyBKBOBBLQCMWRQP-JTQLQIEISA-N
XLogP-0.57
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 162381229 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 CID 162381229?
The IUPAC name of CID 162381229 (CID 162381229) is not available.
What is the SMILES notation for CID 162381229?
The canonical SMILES for CID 162381229 is C#Cc1nn([Si]2C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162381229?
The InChIKey is BKBOBBLQCMWRQP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N5O3Si/c1-5-11-13(14(16)22)15(17-3)20(18-11)24-8-10(7-23-4)19(9-24)12(21)6-2/h1,6,10,17H,2,7-9H2,3-4H3,(H2,16,22)/t10-/m0/s1.
What are the key properties of CID 162381229?
CID 162381229 has a molecular weight of 346.44 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381229 is sourced from PubChem (CID 162381229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).