CID 58197460

C28H26N4O — CID 58197460

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31)
InChIKeyVSAVTZPKBOTXML-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.69
Rot. Bonds1

About CID 58197460

CID 58197460 (PubChem CID 58197460) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol.

Molecular Properties

Compound NameCID 58197460
PubChem CID58197460
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31)
InChIKeyVSAVTZPKBOTXML-UHFFFAOYSA-N
XLogP4.69
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 58197460 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 58197460?
The IUPAC name of CID 58197460 (CID 58197460) is not available.
What is the SMILES notation for CID 58197460?
The canonical SMILES for CID 58197460 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197460?
The InChIKey is VSAVTZPKBOTXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31).
What are the key properties of CID 58197460?
CID 58197460 has a molecular weight of 434.54 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197460 is sourced from PubChem (CID 58197460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).