CID 58197471

C27H25N3O2 — CID 58197471

IUPAC—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3ccccc3)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C27H25N3O2/c1-30-24(31)27(29-25(30)28)22-17-21(18-7-3-2-4-8-18)11-12-23(22)32-26(27)15-13-19-9-5-6-10-20(19)14-16-26/h2-12,17H,13-16H2,1H3,(H2,28,29)
InChIKeyCXHZNDILCIERGS-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.05
Rot. Bonds1

About CID 58197471

CID 58197471 (PubChem CID 58197471) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol.

Molecular Properties

Compound NameCID 58197471
PubChem CID58197471
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3ccccc3)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C27H25N3O2/c1-30-24(31)27(29-25(30)28)22-17-21(18-7-3-2-4-8-18)11-12-23(22)32-26(27)15-13-19-9-5-6-10-20(19)14-16-26/h2-12,17H,13-16H2,1H3,(H2,28,29)
InChIKeyCXHZNDILCIERGS-UHFFFAOYSA-N
XLogP4.05
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 58197471 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 58197471?
The IUPAC name of CID 58197471 (CID 58197471) is not available.
What is the SMILES notation for CID 58197471?
The canonical SMILES for CID 58197471 is CN1C(=O)C2(N=C1N)c1cc(-c3ccccc3)ccc1OC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197471?
The InChIKey is CXHZNDILCIERGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-30-24(31)27(29-25(30)28)22-17-21(18-7-3-2-4-8-18)11-12-23(22)32-26(27)15-13-19-9-5-6-10-20(19)14-16-26/h2-12,17H,13-16H2,1H3,(H2,28,29).
What are the key properties of CID 58197471?
CID 58197471 has a molecular weight of 423.52 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197471 is sourced from PubChem (CID 58197471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).