CID 162381863

C15H17FN5O2Si — CID 162381863

IUPAC—
SMILESC#Cc1nn(C2([Si])C[C@H](CF)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H17FN5O2Si/c1-4-10-12(13(17)23)14(18-3)21(19-10)15(24)6-9(7-16)20(8-15)11(22)5-2/h1,5,9,18H,2,6-8H2,3H3,(H2,17,23)/t9-,15?/m1/s1
InChIKeyLQHVTGFNJQPNBC-WXMRUQJCSA-N
MW346.42 g/mol
LogP-0.42
Rot. Bonds5

About CID 162381863

CID 162381863 (PubChem CID 162381863) has the molecular formula C15H17FN5O2Si and a molecular weight of 346.42 g/mol.

Molecular Properties

Compound NameCID 162381863
PubChem CID162381863
Molecular FormulaC15H17FN5O2Si
Molecular Weight346.42 g/mol
Exact Mass346.11
IUPAC Name—
SMILESC#Cc1nn(C2([Si])C[C@H](CF)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C15H17FN5O2Si/c1-4-10-12(13(17)23)14(18-3)21(19-10)15(24)6-9(7-16)20(8-15)11(22)5-2/h1,5,9,18H,2,6-8H2,3H3,(H2,17,23)/t9-,15?/m1/s1
InChIKeyLQHVTGFNJQPNBC-WXMRUQJCSA-N
XLogP-0.42
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of CID 162381863?
The IUPAC name of CID 162381863 (CID 162381863) is not available.
What is the SMILES notation for CID 162381863?
The canonical SMILES for CID 162381863 is C#Cc1nn(C2([Si])C[C@H](CF)N(C(=O)C=C)C2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162381863?
The InChIKey is LQHVTGFNJQPNBC-WXMRUQJCSA-N. The full InChI is InChI=1S/C15H17FN5O2Si/c1-4-10-12(13(17)23)14(18-3)21(19-10)15(24)6-9(7-16)20(8-15)11(22)5-2/h1,5,9,18H,2,6-8H2,3H3,(H2,17,23)/t9-,15?/m1/s1.
What are the key properties of CID 162381863?
CID 162381863 has a molecular weight of 346.42 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381863 is sourced from PubChem (CID 162381863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).