N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

C26H23FN6O — CID 53046446

IUPACN-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C26H23FN6O/c1-18-11-13-20(14-12-18)23-15-24(19-7-3-2-4-8-19)33-26(29-30-31-33)32(23)17-25(34)28-16-21-9-5-6-10-22(21)27/h2-15,24H,16-17H2,1H3,(H,28,34)
InChIKeyMGBKYGDZYSVUAF-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 53046446) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID53046446
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C26H23FN6O/c1-18-11-13-20(14-12-18)23-15-24(19-7-3-2-4-8-19)33-26(29-30-31-33)32(23)17-25(34)28-16-21-9-5-6-10-22(21)27/h2-15,24H,16-17H2,1H3,(H,28,34)
InChIKeyMGBKYGDZYSVUAF-UHFFFAOYSA-N
XLogP3.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide 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 N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 53046446) is N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is MGBKYGDZYSVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-18-11-13-20(14-12-18)23-15-24(19-7-3-2-4-8-19)33-26(29-30-31-33)32(23)17-25(34)28-16-21-9-5-6-10-22(21)27/h2-15,24H,16-17H2,1H3,(H,28,34).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 454.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53046446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).