4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole

C16H14BrFN4O — CID 67605903

IUPAC4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole
SMILESFc1cccnc1COc1ccc2c(nnn2CC2CC2)c1Br
InChIInChI=1S/C16H14BrFN4O/c17-15-14(23-9-12-11(18)2-1-7-19-12)6-5-13-16(15)20-21-22(13)8-10-3-4-10/h1-2,5-7,10H,3-4,8-9H2
InChIKeyVAYZPVHLGDFWGG-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.72
Rot. Bonds5

About 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole

4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole (PubChem CID 67605903) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole.

Molecular Properties

Compound Name4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole
PubChem CID67605903
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole
SMILESFc1cccnc1COc1ccc2c(nnn2CC2CC2)c1Br
InChIInChI=1S/C16H14BrFN4O/c17-15-14(23-9-12-11(18)2-1-7-19-12)6-5-13-16(15)20-21-22(13)8-10-3-4-10/h1-2,5-7,10H,3-4,8-9H2
InChIKeyVAYZPVHLGDFWGG-UHFFFAOYSA-N
XLogP3.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole 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 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole?
The IUPAC name of 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole (CID 67605903) is 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole.
What is the SMILES notation for 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole?
The canonical SMILES for 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole is Fc1cccnc1COc1ccc2c(nnn2CC2CC2)c1Br.
What is the InChIKey of 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole?
The InChIKey is VAYZPVHLGDFWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c17-15-14(23-9-12-11(18)2-1-7-19-12)6-5-13-16(15)20-21-22(13)8-10-3-4-10/h1-2,5-7,10H,3-4,8-9H2.
What are the key properties of 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole?
4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole has a molecular weight of 377.22 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopropylmethyl)-5-[(3-fluoro-2-pyridinyl)methoxy]benzotriazole is sourced from PubChem (CID 67605903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).