CID 11258957

C26H20N7 — CID 11258957

IUPAC—
SMILES[N-]=[N+]=Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1
InChIInChI=1S/C26H20N7/c27-31-28-22-18-16-20(17-19-22)25-29-32(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)33(30-25)24-14-8-3-9-15-24/h1-19,26H
InChIKeyCWPNMAYVZXFGKJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP6.53
Rot. Bonds5

About CID 11258957

CID 11258957 (PubChem CID 11258957) has the molecular formula C26H20N7 and a molecular weight of 430.50 g/mol.

Molecular Properties

Compound NameCID 11258957
PubChem CID11258957
Molecular FormulaC26H20N7
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name—
SMILES[N-]=[N+]=Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1
InChIInChI=1S/C26H20N7/c27-31-28-22-18-16-20(17-19-22)25-29-32(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)33(30-25)24-14-8-3-9-15-24/h1-19,26H
InChIKeyCWPNMAYVZXFGKJ-UHFFFAOYSA-N
XLogP6.53
TPSA81.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze CID 11258957 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 11258957?
The IUPAC name of CID 11258957 (CID 11258957) is not available.
What is the SMILES notation for CID 11258957?
The canonical SMILES for CID 11258957 is [N-]=[N+]=Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N(c3ccccc3)[N]2)cc1.
What is the InChIKey of CID 11258957?
The InChIKey is CWPNMAYVZXFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N7/c27-31-28-22-18-16-20(17-19-22)25-29-32(23-12-6-2-7-13-23)26(21-10-4-1-5-11-21)33(30-25)24-14-8-3-9-15-24/h1-19,26H.
What are the key properties of CID 11258957?
CID 11258957 has a molecular weight of 430.50 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11258957 is sourced from PubChem (CID 11258957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).