CID 70239402

C22H24FN3O3 — CID 70239402

IUPAC—
SMILESCc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C(F)C2(CCCOC2)O3)c1
InChIInChI=1S/C22H24FN3O3/c1-14-5-3-6-15(11-14)16-7-8-18-17(12-16)22(25-20(24)26(2)29-22)19(23)21(28-18)9-4-10-27-13-21/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H2,24,25)
InChIKeyNRZAPHISOYJSEN-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.29
Rot. Bonds1

About CID 70239402

CID 70239402 (PubChem CID 70239402) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol.

Molecular Properties

Compound NameCID 70239402
PubChem CID70239402
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name—
SMILESCc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C(F)C2(CCCOC2)O3)c1
InChIInChI=1S/C22H24FN3O3/c1-14-5-3-6-15(11-14)16-7-8-18-17(12-16)22(25-20(24)26(2)29-22)19(23)21(28-18)9-4-10-27-13-21/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H2,24,25)
InChIKeyNRZAPHISOYJSEN-UHFFFAOYSA-N
XLogP3.29
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 70239402 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 70239402?
The IUPAC name of CID 70239402 (CID 70239402) is not available.
What is the SMILES notation for CID 70239402?
The canonical SMILES for CID 70239402 is Cc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C(F)C2(CCCOC2)O3)c1.
What is the InChIKey of CID 70239402?
The InChIKey is NRZAPHISOYJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14-5-3-6-15(11-14)16-7-8-18-17(12-16)22(25-20(24)26(2)29-22)19(23)21(28-18)9-4-10-27-13-21/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H2,24,25).
What are the key properties of CID 70239402?
CID 70239402 has a molecular weight of 397.45 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70239402 is sourced from PubChem (CID 70239402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).