CID 170792650

C21H19FN3O2Si — CID 170792650

IUPAC—
SMILESC[C@](O)([Si])c1nccn1[C@@H](C#Cc1ccc(-c2ccc(N)cc2F)cc1)CO
InChIInChI=1S/C21H19FN3O2Si/c1-21(27,28)20-24-10-11-25(20)17(13-26)8-4-14-2-5-15(6-3-14)18-9-7-16(23)12-19(18)22/h2-3,5-7,9-12,17,26-27H,13,23H2,1H3/t17-,21-/m0/s1
InChIKeyHTYUMKSVAGMNQG-UWJYYQICSA-N
MW392.49 g/mol
LogP2.19
Rot. Bonds4

About CID 170792650

CID 170792650 (PubChem CID 170792650) has the molecular formula C21H19FN3O2Si and a molecular weight of 392.49 g/mol.

Molecular Properties

Compound NameCID 170792650
PubChem CID170792650
Molecular FormulaC21H19FN3O2Si
Molecular Weight392.49 g/mol
Exact Mass392.12
IUPAC Name—
SMILESC[C@](O)([Si])c1nccn1[C@@H](C#Cc1ccc(-c2ccc(N)cc2F)cc1)CO
InChIInChI=1S/C21H19FN3O2Si/c1-21(27,28)20-24-10-11-25(20)17(13-26)8-4-14-2-5-15(6-3-14)18-9-7-16(23)12-19(18)22/h2-3,5-7,9-12,17,26-27H,13,23H2,1H3/t17-,21-/m0/s1
InChIKeyHTYUMKSVAGMNQG-UWJYYQICSA-N
XLogP2.19
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170792650?
The IUPAC name of CID 170792650 (CID 170792650) is not available.
What is the SMILES notation for CID 170792650?
The canonical SMILES for CID 170792650 is C[C@](O)([Si])c1nccn1[C@@H](C#Cc1ccc(-c2ccc(N)cc2F)cc1)CO.
What is the InChIKey of CID 170792650?
The InChIKey is HTYUMKSVAGMNQG-UWJYYQICSA-N. The full InChI is InChI=1S/C21H19FN3O2Si/c1-21(27,28)20-24-10-11-25(20)17(13-26)8-4-14-2-5-15(6-3-14)18-9-7-16(23)12-19(18)22/h2-3,5-7,9-12,17,26-27H,13,23H2,1H3/t17-,21-/m0/s1.
What are the key properties of CID 170792650?
CID 170792650 has a molecular weight of 392.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170792650 is sourced from PubChem (CID 170792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).