CID 135462429

C29H19N5O2 — CID 135462429

IUPAC—
SMILESO=C1NC2=NNC3(C(=O)N2NC12c1ccccc1-c1ccccc12)c1ccccc1-c1ccccc13
InChIInChI=1S/C29H19N5O2/c35-25-28(21-13-5-1-9-17(21)18-10-2-6-14-22(18)28)33-34-26(36)29(32-31-27(34)30-25)23-15-7-3-11-19(23)20-12-4-8-16-24(20)29/h1-16,32-33H,(H,30,31,35)
InChIKeyVIQSSQOIVAXHBO-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.17
Rot. Bonds

About CID 135462429

CID 135462429 (PubChem CID 135462429) has the molecular formula C29H19N5O2 and a molecular weight of 469.50 g/mol.

Molecular Properties

Compound NameCID 135462429
PubChem CID135462429
Molecular FormulaC29H19N5O2
Molecular Weight469.50 g/mol
Exact Mass469.15
IUPAC Name—
SMILESO=C1NC2=NNC3(C(=O)N2NC12c1ccccc1-c1ccccc12)c1ccccc1-c1ccccc13
InChIInChI=1S/C29H19N5O2/c35-25-28(21-13-5-1-9-17(21)18-10-2-6-14-22(18)28)33-34-26(36)29(32-31-27(34)30-25)23-15-7-3-11-19(23)20-12-4-8-16-24(20)29/h1-16,32-33H,(H,30,31,35)
InChIKeyVIQSSQOIVAXHBO-UHFFFAOYSA-N
XLogP3.17
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze CID 135462429 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 135462429?
The IUPAC name of CID 135462429 (CID 135462429) is not available.
What is the SMILES notation for CID 135462429?
The canonical SMILES for CID 135462429 is O=C1NC2=NNC3(C(=O)N2NC12c1ccccc1-c1ccccc12)c1ccccc1-c1ccccc13.
What is the InChIKey of CID 135462429?
The InChIKey is VIQSSQOIVAXHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5O2/c35-25-28(21-13-5-1-9-17(21)18-10-2-6-14-22(18)28)33-34-26(36)29(32-31-27(34)30-25)23-15-7-3-11-19(23)20-12-4-8-16-24(20)29/h1-16,32-33H,(H,30,31,35).
What are the key properties of CID 135462429?
CID 135462429 has a molecular weight of 469.50 g/mol, XLogP of 3.17, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135462429 is sourced from PubChem (CID 135462429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).