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

C26H23ClN6O2 — CID 95060621

IUPAC2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(c3ccccc3)=C[C@@H](c3ccc(Cl)cc3)n3nnnc32)cc1
InChIInChI=1S/C26H23ClN6O2/c1-35-22-13-7-18(8-14-22)16-28-25(34)17-32-23(19-5-3-2-4-6-19)15-24(33-26(32)29-30-31-33)20-9-11-21(27)12-10-20/h2-15,24H,16-17H2,1H3,(H,28,34)/t24-/m0/s1
InChIKeyOXSMQTUMSYYWEM-DEOSSOPVSA-N
MW486.96 g/mol
LogP4.10
Rot. Bonds7

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

2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 95060621) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID95060621
Molecular FormulaC26H23ClN6O2
Molecular Weight486.96 g/mol
Exact Mass486.16
IUPAC Name2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(c3ccccc3)=C[C@@H](c3ccc(Cl)cc3)n3nnnc32)cc1
InChIInChI=1S/C26H23ClN6O2/c1-35-22-13-7-18(8-14-22)16-28-25(34)17-32-23(19-5-3-2-4-6-19)15-24(33-26(32)29-30-31-33)20-9-11-21(27)12-10-20/h2-15,24H,16-17H2,1H3,(H,28,34)/t24-/m0/s1
InChIKeyOXSMQTUMSYYWEM-DEOSSOPVSA-N
XLogP4.10
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046433
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-[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-(3-methylphenyl)acetamide
CID 95060608
2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 95060429
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
N-cyclopentyl-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 53046416
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-piperidin-1-ylethanone
CID 53046460
2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53046408
N-(2-ethoxyphenyl)-2-[(7R)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060414

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 95060621) is 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(c3ccccc3)=C[C@@H](c3ccc(Cl)cc3)n3nnnc32)cc1.
What is the InChIKey of 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OXSMQTUMSYYWEM-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c1-35-22-13-7-18(8-14-22)16-28-25(34)17-32-23(19-5-3-2-4-6-19)15-24(33-26(32)29-30-31-33)20-9-11-21(27)12-10-20/h2-15,24H,16-17H2,1H3,(H,28,34)/t24-/m0/s1.
What are the key properties of 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 486.96 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 95060621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).