CID 46927172

C26H23F2N3O — CID 46927172

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3ccccc3)ccc1CC21CCc2cc(F)c(F)cc2C1
InChIInChI=1S/C26H23F2N3O/c1-31-24(29)30-26(32-31)21-11-17(16-5-3-2-4-6-16)7-8-19(21)14-25(26)10-9-18-12-22(27)23(28)13-20(18)15-25/h2-8,11-13H,9-10,14-15H2,1H3,(H2,29,30)
InChIKeyZINQRACZVGYYGJ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.71
Rot. Bonds1

About CID 46927172

CID 46927172 (PubChem CID 46927172) has the molecular formula C26H23F2N3O and a molecular weight of 431.49 g/mol.

Molecular Properties

Compound NameCID 46927172
PubChem CID46927172
Molecular FormulaC26H23F2N3O
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3ccccc3)ccc1CC21CCc2cc(F)c(F)cc2C1
InChIInChI=1S/C26H23F2N3O/c1-31-24(29)30-26(32-31)21-11-17(16-5-3-2-4-6-16)7-8-19(21)14-25(26)10-9-18-12-22(27)23(28)13-20(18)15-25/h2-8,11-13H,9-10,14-15H2,1H3,(H2,29,30)
InChIKeyZINQRACZVGYYGJ-UHFFFAOYSA-N
XLogP4.71
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 46927172?
The IUPAC name of CID 46927172 (CID 46927172) is not available.
What is the SMILES notation for CID 46927172?
The canonical SMILES for CID 46927172 is CN1OC2(N=C1N)c1cc(-c3ccccc3)ccc1CC21CCc2cc(F)c(F)cc2C1.
What is the InChIKey of CID 46927172?
The InChIKey is ZINQRACZVGYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O/c1-31-24(29)30-26(32-31)21-11-17(16-5-3-2-4-6-16)7-8-19(21)14-25(26)10-9-18-12-22(27)23(28)13-20(18)15-25/h2-8,11-13H,9-10,14-15H2,1H3,(H2,29,30).
What are the key properties of CID 46927172?
CID 46927172 has a molecular weight of 431.49 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46927172 is sourced from PubChem (CID 46927172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).