CID 174093562

C26H41BN3 — CID 174093562

IUPAC—
SMILES[B](c1cc2cnc(C3CCCCCCCCC3)nc2[nH]1)C1CCCCCCCCC1
InChIInChI=1S/C26H41BN3/c1-3-7-11-15-21(16-12-8-4-1)25-28-20-22-19-24(29-26(22)30-25)27-23-17-13-9-5-2-6-10-14-18-23/h19-21,23H,1-18H2,(H,28,29,30)
InChIKeyZAARAQXUTYHGRO-UHFFFAOYSA-N
MW406.45 g/mol
LogP7.21
Rot. Bonds3

About CID 174093562

CID 174093562 (PubChem CID 174093562) has the molecular formula C26H41BN3 and a molecular weight of 406.45 g/mol.

Molecular Properties

Compound NameCID 174093562
PubChem CID174093562
Molecular FormulaC26H41BN3
Molecular Weight406.45 g/mol
Exact Mass406.34
IUPAC Name—
SMILES[B](c1cc2cnc(C3CCCCCCCCC3)nc2[nH]1)C1CCCCCCCCC1
InChIInChI=1S/C26H41BN3/c1-3-7-11-15-21(16-12-8-4-1)25-28-20-22-19-24(29-26(22)30-25)27-23-17-13-9-5-2-6-10-14-18-23/h19-21,23H,1-18H2,(H,28,29,30)
InChIKeyZAARAQXUTYHGRO-UHFFFAOYSA-N
XLogP7.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 174093562 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexylquinazoline
CID 22611708
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225
5-bromo-2-cyclooctylpyrimidin-4-amine
CID 80610598
5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
CID 82168565
3-cyclohexyl-6-methyl-1H-pyrazin-2-one
CID 125457865
CID 174093338
CID 174093338
2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
CID 170009095
2-cyclopentyl-4,6-diiodopyrimidine
CID 90338648
2-cyclopentylpyrimidin-5-ol
CID 20542594
2-cyclopentyl-5-iodopyrimidin-4-amine
CID 66303504

Frequently Asked Questions

What is the IUPAC name of CID 174093562?
The IUPAC name of CID 174093562 (CID 174093562) is not available.
What is the SMILES notation for CID 174093562?
The canonical SMILES for CID 174093562 is [B](c1cc2cnc(C3CCCCCCCCC3)nc2[nH]1)C1CCCCCCCCC1.
What is the InChIKey of CID 174093562?
The InChIKey is ZAARAQXUTYHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41BN3/c1-3-7-11-15-21(16-12-8-4-1)25-28-20-22-19-24(29-26(22)30-25)27-23-17-13-9-5-2-6-10-14-18-23/h19-21,23H,1-18H2,(H,28,29,30).
What are the key properties of CID 174093562?
CID 174093562 has a molecular weight of 406.45 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174093562 is sourced from PubChem (CID 174093562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).