7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H11BrF3N5O — CID 4172577

IUPAC7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3cc(Br)ccc3OC(F)F)n3nnnc3N2)cc1
InChIInChI=1S/C17H11BrF3N5O/c18-10-3-6-15(27-16(20)21)12(7-10)14-8-13(9-1-4-11(19)5-2-9)22-17-23-24-25-26(14)17/h1-8,14,16H,(H,22,23,25)
InChIKeyGOGCMLHERJSOMI-UHFFFAOYSA-N
MW438.21 g/mol
LogP4.23
Rot. Bonds4

About 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4172577) has the molecular formula C17H11BrF3N5O and a molecular weight of 438.21 g/mol. Its IUPAC name is 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4172577
Molecular FormulaC17H11BrF3N5O
Molecular Weight438.21 g/mol
Exact Mass437.01
IUPAC Name7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3cc(Br)ccc3OC(F)F)n3nnnc3N2)cc1
InChIInChI=1S/C17H11BrF3N5O/c18-10-3-6-15(27-16(20)21)12(7-10)14-8-13(9-1-4-11(19)5-2-9)22-17-23-24-25-26(14)17/h1-8,14,16H,(H,22,23,25)
InChIKeyGOGCMLHERJSOMI-UHFFFAOYSA-N
XLogP4.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine 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 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4172577) is 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3cc(Br)ccc3OC(F)F)n3nnnc3N2)cc1.
What is the InChIKey of 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is GOGCMLHERJSOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N5O/c18-10-3-6-15(27-16(20)21)12(7-10)14-8-13(9-1-4-11(19)5-2-9)22-17-23-24-25-26(14)17/h1-8,14,16H,(H,22,23,25).
What are the key properties of 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 438.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4172577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).