CID 67979498

C24H23F5N4O — CID 67979498

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(-c3cncc(C(F)(F)F)c3)ccc1CC21CCC(OC(F)F)CC1
InChIInChI=1S/C24H23F5N4O/c1-13-20(30)33-23(32-13)19-9-14(16-8-17(12-31-11-16)24(27,28)29)2-3-15(19)10-22(23)6-4-18(5-7-22)34-21(25)26/h2-3,8-9,11-12,18,21H,4-7,10H2,1H3,(H2,30,33)
InChIKeyVABJLQOQMZEOHJ-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.48
Rot. Bonds3

About CID 67979498

CID 67979498 (PubChem CID 67979498) has the molecular formula C24H23F5N4O and a molecular weight of 478.47 g/mol.

Molecular Properties

Compound NameCID 67979498
PubChem CID67979498
Molecular FormulaC24H23F5N4O
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(-c3cncc(C(F)(F)F)c3)ccc1CC21CCC(OC(F)F)CC1
InChIInChI=1S/C24H23F5N4O/c1-13-20(30)33-23(32-13)19-9-14(16-8-17(12-31-11-16)24(27,28)29)2-3-15(19)10-22(23)6-4-18(5-7-22)34-21(25)26/h2-3,8-9,11-12,18,21H,4-7,10H2,1H3,(H2,30,33)
InChIKeyVABJLQOQMZEOHJ-UHFFFAOYSA-N
XLogP5.48
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 67979498 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 67979498?
The IUPAC name of CID 67979498 (CID 67979498) is not available.
What is the SMILES notation for CID 67979498?
The canonical SMILES for CID 67979498 is CC1=NC2(N=C1N)c1cc(-c3cncc(C(F)(F)F)c3)ccc1CC21CCC(OC(F)F)CC1.
What is the InChIKey of CID 67979498?
The InChIKey is VABJLQOQMZEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N4O/c1-13-20(30)33-23(32-13)19-9-14(16-8-17(12-31-11-16)24(27,28)29)2-3-15(19)10-22(23)6-4-18(5-7-22)34-21(25)26/h2-3,8-9,11-12,18,21H,4-7,10H2,1H3,(H2,30,33).
What are the key properties of CID 67979498?
CID 67979498 has a molecular weight of 478.47 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67979498 is sourced from PubChem (CID 67979498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).