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

C24H17ClF2N6O — CID 95060349

IUPAC2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1C(c2ccc(Cl)cc2)=C[C@@H](c2ccccc2)n2nnnc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C24H17ClF2N6O/c25-17-8-6-16(7-9-17)21-13-22(15-4-2-1-3-5-15)33-24(29-30-31-33)32(21)14-23(34)28-20-11-18(26)10-19(27)12-20/h1-13,22H,14H2,(H,28,34)/t22-/m0/s1
InChIKeyWZYYKKJWEHXQQF-QFIPXVFZSA-N
MW478.89 g/mol
LogP4.69
Rot. Bonds5

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

2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 95060349) has the molecular formula C24H17ClF2N6O and a molecular weight of 478.89 g/mol. Its IUPAC name is 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID95060349
Molecular FormulaC24H17ClF2N6O
Molecular Weight478.89 g/mol
Exact Mass478.11
IUPAC Name2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1C(c2ccc(Cl)cc2)=C[C@@H](c2ccccc2)n2nnnc21)Nc1cc(F)cc(F)c1
InChIInChI=1S/C24H17ClF2N6O/c25-17-8-6-16(7-9-17)21-13-22(15-4-2-1-3-5-15)33-24(29-30-31-33)32(21)14-23(34)28-20-11-18(26)10-19(27)12-20/h1-13,22H,14H2,(H,28,34)/t22-/m0/s1
InChIKeyWZYYKKJWEHXQQF-QFIPXVFZSA-N
XLogP4.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53046479
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
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
CID 95060608
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
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-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
N-(2,4-dimethylphenyl)-2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060254

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide (CID 95060349) is 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide is O=C(CN1C(c2ccc(Cl)cc2)=C[C@@H](c2ccccc2)n2nnnc21)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is WZYYKKJWEHXQQF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H17ClF2N6O/c25-17-8-6-16(7-9-17)21-13-22(15-4-2-1-3-5-15)33-24(29-30-31-33)32(21)14-23(34)28-20-11-18(26)10-19(27)12-20/h1-13,22H,14H2,(H,28,34)/t22-/m0/s1.
What are the key properties of 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide?
2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 478.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 95060349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).