CID 89153625

C21H21BFN5O — CID 89153625

IUPAC—
SMILES[B]c1c(N)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1ccccc1
InChIInChI=1S/C21H21BFN5O/c22-19-20(15-4-2-1-3-5-15)28(25-21(19)24)14-18(29)27-12-10-26(11-13-27)17-8-6-16(23)7-9-17/h1-9H,10-14H2,(H2,24,25)
InChIKeyUQPJMARILHFADI-UHFFFAOYSA-N
MW389.24 g/mol
LogP1.41
Rot. Bonds4

About CID 89153625

CID 89153625 (PubChem CID 89153625) has the molecular formula C21H21BFN5O and a molecular weight of 389.24 g/mol.

Molecular Properties

Compound NameCID 89153625
PubChem CID89153625
Molecular FormulaC21H21BFN5O
Molecular Weight389.24 g/mol
Exact Mass389.18
IUPAC Name—
SMILES[B]c1c(N)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1ccccc1
InChIInChI=1S/C21H21BFN5O/c22-19-20(15-4-2-1-3-5-15)28(25-21(19)24)14-18(29)27-12-10-26(11-13-27)17-8-6-16(23)7-9-17/h1-9H,10-14H2,(H2,24,25)
InChIKeyUQPJMARILHFADI-UHFFFAOYSA-N
XLogP1.41
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 89153625 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-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 21071114
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
CID 21071008
2-(5-butan-2-yl-3-propan-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 70974292
2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 163434762
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 21070969
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778022
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 38514229

Frequently Asked Questions

What is the IUPAC name of CID 89153625?
The IUPAC name of CID 89153625 (CID 89153625) is not available.
What is the SMILES notation for CID 89153625?
The canonical SMILES for CID 89153625 is [B]c1c(N)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1ccccc1.
What is the InChIKey of CID 89153625?
The InChIKey is UQPJMARILHFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BFN5O/c22-19-20(15-4-2-1-3-5-15)28(25-21(19)24)14-18(29)27-12-10-26(11-13-27)17-8-6-16(23)7-9-17/h1-9H,10-14H2,(H2,24,25).
What are the key properties of CID 89153625?
CID 89153625 has a molecular weight of 389.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89153625 is sourced from PubChem (CID 89153625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).