CID 89234693

C19H18BFN6 — CID 89234693

IUPAC—
SMILES[B]c1cnn2c(NCCCCn3ccnc3)cc(-c3ccccc3F)nc12
InChIInChI=1S/C19H18BFN6/c20-15-12-24-27-18(23-7-3-4-9-26-10-8-22-13-26)11-17(25-19(15)27)14-5-1-2-6-16(14)21/h1-2,5-6,8,10-13,23H,3-4,7,9H2
InChIKeyLQTRNSCZWIKCTG-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.42
Rot. Bonds7

About CID 89234693

CID 89234693 (PubChem CID 89234693) has the molecular formula C19H18BFN6 and a molecular weight of 360.21 g/mol.

Molecular Properties

Compound NameCID 89234693
PubChem CID89234693
Molecular FormulaC19H18BFN6
Molecular Weight360.21 g/mol
Exact Mass360.17
IUPAC Name—
SMILES[B]c1cnn2c(NCCCCn3ccnc3)cc(-c3ccccc3F)nc12
InChIInChI=1S/C19H18BFN6/c20-15-12-24-27-18(23-7-3-4-9-26-10-8-22-13-26)11-17(25-19(15)27)14-5-1-2-6-16(14)21/h1-2,5-6,8,10-13,23H,3-4,7,9H2
InChIKeyLQTRNSCZWIKCTG-UHFFFAOYSA-N
XLogP2.42
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
CID 4106530
CID 89055268
CID 89055268
CID 89055374
CID 89055374
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
7-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 170427296
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
CID 89055813
CID 89055813
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
CID 89055429
CID 89055429
CID 89297958
CID 89297958

Frequently Asked Questions

What is the IUPAC name of CID 89234693?
The IUPAC name of CID 89234693 (CID 89234693) is not available.
What is the SMILES notation for CID 89234693?
The canonical SMILES for CID 89234693 is [B]c1cnn2c(NCCCCn3ccnc3)cc(-c3ccccc3F)nc12.
What is the InChIKey of CID 89234693?
The InChIKey is LQTRNSCZWIKCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BFN6/c20-15-12-24-27-18(23-7-3-4-9-26-10-8-22-13-26)11-17(25-19(15)27)14-5-1-2-6-16(14)21/h1-2,5-6,8,10-13,23H,3-4,7,9H2.
What are the key properties of CID 89234693?
CID 89234693 has a molecular weight of 360.21 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89234693 is sourced from PubChem (CID 89234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).