2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide

C24H18ClFN6O — CID 53046479

IUPAC2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(c2ccc(Cl)cc2)=CC(c2ccccc2)n2nnnc21)Nc1cccc(F)c1
InChIInChI=1S/C24H18ClFN6O/c25-18-11-9-17(10-12-18)21-14-22(16-5-2-1-3-6-16)32-24(28-29-30-32)31(21)15-23(33)27-20-8-4-7-19(26)13-20/h1-14,22H,15H2,(H,27,33)
InChIKeyJODWKFKVYWSRAA-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.55
Rot. Bonds5

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

2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 53046479) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID53046479
Molecular FormulaC24H18ClFN6O
Molecular Weight460.90 g/mol
Exact Mass460.12
IUPAC Name2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(c2ccc(Cl)cc2)=CC(c2ccccc2)n2nnnc21)Nc1cccc(F)c1
InChIInChI=1S/C24H18ClFN6O/c25-18-11-9-17(10-12-18)21-14-22(16-5-2-1-3-6-16)32-24(28-29-30-32)31(21)15-23(33)27-20-8-4-7-19(26)13-20/h1-14,22H,15H2,(H,27,33)
InChIKeyJODWKFKVYWSRAA-UHFFFAOYSA-N
XLogP4.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
CID 95060349
2-[7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53046598
N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 53046417
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
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
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)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 95060487
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 53046552
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 53046460

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide (CID 53046479) is 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1C(c2ccc(Cl)cc2)=CC(c2ccccc2)n2nnnc21)Nc1cccc(F)c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is JODWKFKVYWSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c25-18-11-9-17(10-12-18)21-14-22(16-5-2-1-3-6-16)32-24(28-29-30-32)31(21)15-23(33)27-20-8-4-7-19(26)13-20/h1-14,22H,15H2,(H,27,33).
What are the key properties of 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide?
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 460.90 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).