CID 174069380

C20H19BFN5 — CID 174069380

IUPAC—
SMILES[B]N1CCC(CC1)N2C=C3C=C(C=CC3=N2)C4=CC5=CN(N=C5C(=C4)F)C
InChIInChI=1S/C20H19BFN5/c1-25-11-16-9-14(10-18(22)20(16)24-25)13-2-3-19-15(8-13)12-27(23-19)17-4-6-26(21)7-5-17/h2-3,8-12,17H,4-7H2,1H3
InChIKeyWMRPFKRINZKUMM-UHFFFAOYSA-N
MW359.20 g/mol
LogP—
Rot. Bonds2

About CID 174069380

CID 174069380 (PubChem CID 174069380) has the molecular formula C20H19BFN5 and a molecular weight of 359.20 g/mol.

Molecular Properties

Compound NameCID 174069380
PubChem CID174069380
Molecular FormulaC20H19BFN5
Molecular Weight359.20 g/mol
Exact Mass359.17
IUPAC Name—
SMILES[B]N1CCC(CC1)N2C=C3C=C(C=CC3=N2)C4=CC5=CN(N=C5C(=C4)F)C
InChIInChI=1S/C20H19BFN5/c1-25-11-16-9-14(10-18(22)20(16)24-25)13-2-3-19-15(8-13)12-27(23-19)17-4-6-26(21)7-5-17/h2-3,8-12,17H,4-7H2,1H3
InChIKeyWMRPFKRINZKUMM-UHFFFAOYSA-N
XLogP—
TPSA38.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity531

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 174069380 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 174069380?
The IUPAC name of CID 174069380 (CID 174069380) is not available.
What is the SMILES notation for CID 174069380?
The canonical SMILES for CID 174069380 is [B]N1CCC(CC1)N2C=C3C=C(C=CC3=N2)C4=CC5=CN(N=C5C(=C4)F)C.
What is the InChIKey of CID 174069380?
The InChIKey is WMRPFKRINZKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BFN5/c1-25-11-16-9-14(10-18(22)20(16)24-25)13-2-3-19-15(8-13)12-27(23-19)17-4-6-26(21)7-5-17/h2-3,8-12,17H,4-7H2,1H3.
What are the key properties of CID 174069380?
CID 174069380 has a molecular weight of 359.20 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174069380 is sourced from PubChem (CID 174069380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).