N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide

C24H18F2N6O — CID 53046417

IUPACN-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESO=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C24H18F2N6O/c25-19-12-11-18(13-20(19)26)27-23(33)15-31-21(16-7-3-1-4-8-16)14-22(17-9-5-2-6-10-17)32-24(31)28-29-30-32/h1-14,22H,15H2,(H,27,33)
InChIKeyVNDRFUUZVUUJPQ-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.04
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 53046417) has the molecular formula C24H18F2N6O and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID53046417
Molecular FormulaC24H18F2N6O
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC NameN-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESO=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C24H18F2N6O/c25-19-12-11-18(13-20(19)26)27-23(33)15-31-21(16-7-3-1-4-8-16)14-22(17-9-5-2-6-10-17)32-24(31)28-29-30-32/h1-14,22H,15H2,(H,27,33)
InChIKeyVNDRFUUZVUUJPQ-UHFFFAOYSA-N
XLogP4.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
2-[7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53046598
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53046479
2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
CID 95060349
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259
2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
CID 95060608
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060394
2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 95060611
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 53046552
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 95060487
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 53046417) is N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide is O=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc21)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is VNDRFUUZVUUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O/c25-19-12-11-18(13-20(19)26)27-23(33)15-31-21(16-7-3-1-4-8-16)14-22(17-9-5-2-6-10-17)32-24(31)28-29-30-32/h1-14,22H,15H2,(H,27,33).
What are the key properties of N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 444.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53046417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).