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

C26H23FN6O — CID 53046444

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN6O/c1-18-7-11-21(12-8-18)23-15-24(20-5-3-2-4-6-20)33-26(29-30-31-33)32(23)17-25(34)28-16-19-9-13-22(27)14-10-19/h2-15,24H,16-17H2,1H3,(H,28,34)
InChIKeyHCTMISVFJNVHQF-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.89
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 53046444) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID53046444
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN6O/c1-18-7-11-21(12-8-18)23-15-24(20-5-3-2-4-6-20)33-26(29-30-31-33)32(23)17-25(34)28-16-19-9-13-22(27)14-10-19/h2-15,24H,16-17H2,1H3,(H,28,34)
InChIKeyHCTMISVFJNVHQF-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 53046444) is N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc(C2=CC(c3ccccc3)n3nnnc3N2CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is HCTMISVFJNVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-18-7-11-21(12-8-18)23-15-24(20-5-3-2-4-6-20)33-26(29-30-31-33)32(23)17-25(34)28-16-19-9-13-22(27)14-10-19/h2-15,24H,16-17H2,1H3,(H,28,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-[(4-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-[(4-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 53046444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).