CID 90056272

C23H23F3N4O5 — CID 90056272

IUPAC—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C23H23F3N4O5/c1-20(2)21(9-32-10-21)22(11-34-19(27)30-22)15-7-14(4-5-16(15)35-20)29-18(31)13-3-6-17(28-8-13)33-12-23(24,25)26/h3-8H,9-12H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyNSLUXYFBACHKIA-UHFFFAOYSA-N
MW492.45 g/mol
LogP3.00
Rot. Bonds4

About CID 90056272

CID 90056272 (PubChem CID 90056272) has the molecular formula C23H23F3N4O5 and a molecular weight of 492.45 g/mol.

Molecular Properties

Compound NameCID 90056272
PubChem CID90056272
Molecular FormulaC23H23F3N4O5
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC Name—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C23H23F3N4O5/c1-20(2)21(9-32-10-21)22(11-34-19(27)30-22)15-7-14(4-5-16(15)35-20)29-18(31)13-3-6-17(28-8-13)33-12-23(24,25)26/h3-8H,9-12H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyNSLUXYFBACHKIA-UHFFFAOYSA-N
XLogP3.00
TPSA117.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 90056272?
The IUPAC name of CID 90056272 (CID 90056272) is not available.
What is the SMILES notation for CID 90056272?
The canonical SMILES for CID 90056272 is CC1(C)Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)nc3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90056272?
The InChIKey is NSLUXYFBACHKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c1-20(2)21(9-32-10-21)22(11-34-19(27)30-22)15-7-14(4-5-16(15)35-20)29-18(31)13-3-6-17(28-8-13)33-12-23(24,25)26/h3-8H,9-12H2,1-2H3,(H2,27,30)(H,29,31).
What are the key properties of CID 90056272?
CID 90056272 has a molecular weight of 492.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056272 is sourced from PubChem (CID 90056272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).