CID 90319937

C21H17AsFN3O2 — CID 90319937

IUPAC—
SMILESO=C(c1ccccc1-c1ccc(-c2cnc([As])nc2)c(F)c1)N1CCOCC1
InChIInChI=1S/C21H17AsFN3O2/c22-21-24-12-15(13-25-21)17-6-5-14(11-19(17)23)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2
InChIKeyUEQJVMJPZIWOCY-UHFFFAOYSA-N
MW437.31 g/mol
LogP2.22
Rot. Bonds3

About CID 90319937

CID 90319937 (PubChem CID 90319937) has the molecular formula C21H17AsFN3O2 and a molecular weight of 437.31 g/mol.

Molecular Properties

Compound NameCID 90319937
PubChem CID90319937
Molecular FormulaC21H17AsFN3O2
Molecular Weight437.31 g/mol
Exact Mass437.05
IUPAC Name—
SMILESO=C(c1ccccc1-c1ccc(-c2cnc([As])nc2)c(F)c1)N1CCOCC1
InChIInChI=1S/C21H17AsFN3O2/c22-21-24-12-15(13-25-21)17-6-5-14(11-19(17)23)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2
InChIKeyUEQJVMJPZIWOCY-UHFFFAOYSA-N
XLogP2.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 90313146
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138711638
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] benzoate
CID 45268223
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44824314
1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of CID 90319937?
The IUPAC name of CID 90319937 (CID 90319937) is not available.
What is the SMILES notation for CID 90319937?
The canonical SMILES for CID 90319937 is O=C(c1ccccc1-c1ccc(-c2cnc([As])nc2)c(F)c1)N1CCOCC1.
What is the InChIKey of CID 90319937?
The InChIKey is UEQJVMJPZIWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17AsFN3O2/c22-21-24-12-15(13-25-21)17-6-5-14(11-19(17)23)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2.
What are the key properties of CID 90319937?
CID 90319937 has a molecular weight of 437.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90319937 is sourced from PubChem (CID 90319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).