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

C25H21ClN6O2 — CID 95060611

IUPAC2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(c3ccccc3)=C[C@H](c3ccc(Cl)cc3)n3nnnc32)c1
InChIInChI=1S/C25H21ClN6O2/c1-34-21-9-5-8-20(14-21)27-24(33)16-31-22(17-6-3-2-4-7-17)15-23(32-25(31)28-29-30-32)18-10-12-19(26)13-11-18/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m1/s1
InChIKeyHSLHRCPWEFQWHK-HSZRJFAPSA-N
MW472.94 g/mol
LogP4.42
Rot. Bonds6

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

2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 95060611) has the molecular formula C25H21ClN6O2 and a molecular weight of 472.94 g/mol. Its IUPAC name is 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID95060611
Molecular FormulaC25H21ClN6O2
Molecular Weight472.94 g/mol
Exact Mass472.14
IUPAC Name2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(c3ccccc3)=C[C@H](c3ccc(Cl)cc3)n3nnnc32)c1
InChIInChI=1S/C25H21ClN6O2/c1-34-21-9-5-8-20(14-21)27-24(33)16-31-22(17-6-3-2-4-7-17)15-23(32-25(31)28-29-30-32)18-10-12-19(26)13-11-18/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m1/s1
InChIKeyHSLHRCPWEFQWHK-HSZRJFAPSA-N
XLogP4.42
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53046598
2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 95060621
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53046479
N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 53046417
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
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-methyl-1,3-thiazol-2-yl)acetamide
CID 53046627
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 53046552

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide (CID 95060611) is 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2C(c3ccccc3)=C[C@H](c3ccc(Cl)cc3)n3nnnc32)c1.
What is the InChIKey of 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is HSLHRCPWEFQWHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H21ClN6O2/c1-34-21-9-5-8-20(14-21)27-24(33)16-31-22(17-6-3-2-4-7-17)15-23(32-25(31)28-29-30-32)18-10-12-19(26)13-11-18/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m1/s1.
What are the key properties of 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide?
2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 472.94 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 95060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).