3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione

C21H13N3O3 — CID 135765825

IUPAC3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione
SMILESO=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2c(O)cccc21
InChIInChI=1S/C21H13N3O3/c25-17-11-5-8-14-18(17)24-19(12-6-1-3-9-15(12)23-20(14)26)22-16-10-4-2-7-13(16)21(24)27/h1-11,25H,(H,23,26)
InChIKeyNUBAAWQBTGSVGH-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.32
Rot. Bonds

About 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione

3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione (PubChem CID 135765825) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione.

Molecular Properties

Compound Name3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione
PubChem CID135765825
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione
SMILESO=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2c(O)cccc21
InChIInChI=1S/C21H13N3O3/c25-17-11-5-8-14-18(17)24-19(12-6-1-3-9-15(12)23-20(14)26)22-16-10-4-2-7-13(16)21(24)27/h1-11,25H,(H,23,26)
InChIKeyNUBAAWQBTGSVGH-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione 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 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione?
The IUPAC name of 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione (CID 135765825) is 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione.
What is the SMILES notation for 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione?
The canonical SMILES for 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione is O=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2c(O)cccc21.
What is the InChIKey of 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione?
The InChIKey is NUBAAWQBTGSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c25-17-11-5-8-14-18(17)24-19(12-6-1-3-9-15(12)23-20(14)26)22-16-10-4-2-7-13(16)21(24)27/h1-11,25H,(H,23,26).
What are the key properties of 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione?
3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione has a molecular weight of 355.35 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,9,17-triazapentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-2(7),3,5,10,12,14,16,18,20,22-decaene-8,24-dione is sourced from PubChem (CID 135765825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).