CID 58424235

C26H23F2N3O2 — CID 58424235

IUPAC—
SMILESCN1OC2(CC3(CCCc4ccccc43)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C26H23F2N3O2/c1-31-24(29)30-26(33-31)15-25(10-4-6-16-5-2-3-7-21(16)25)32-23-9-8-17(13-22(23)26)18-11-19(27)14-20(28)12-18/h2-3,5,7-9,11-14H,4,6,10,15H2,1H3,(H2,29,30)
InChIKeyOMZNDJZTYQOVJL-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.99
Rot. Bonds1

About CID 58424235

CID 58424235 (PubChem CID 58424235) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol.

Molecular Properties

Compound NameCID 58424235
PubChem CID58424235
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name—
SMILESCN1OC2(CC3(CCCc4ccccc43)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C26H23F2N3O2/c1-31-24(29)30-26(33-31)15-25(10-4-6-16-5-2-3-7-21(16)25)32-23-9-8-17(13-22(23)26)18-11-19(27)14-20(28)12-18/h2-3,5,7-9,11-14H,4,6,10,15H2,1H3,(H2,29,30)
InChIKeyOMZNDJZTYQOVJL-UHFFFAOYSA-N
XLogP4.99
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58424235?
The IUPAC name of CID 58424235 (CID 58424235) is not available.
What is the SMILES notation for CID 58424235?
The canonical SMILES for CID 58424235 is CN1OC2(CC3(CCCc4ccccc43)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N.
What is the InChIKey of CID 58424235?
The InChIKey is OMZNDJZTYQOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-31-24(29)30-26(33-31)15-25(10-4-6-16-5-2-3-7-21(16)25)32-23-9-8-17(13-22(23)26)18-11-19(27)14-20(28)12-18/h2-3,5,7-9,11-14H,4,6,10,15H2,1H3,(H2,29,30).
What are the key properties of CID 58424235?
CID 58424235 has a molecular weight of 447.49 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424235 is sourced from PubChem (CID 58424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).