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

C26H24N6O — CID 95060249

IUPACN-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H24N6O/c1-19-12-14-22(15-13-19)23-16-24(21-10-6-3-7-11-21)32-26(28-29-30-32)31(23)18-25(33)27-17-20-8-4-2-5-9-20/h2-16,24H,17-18H2,1H3,(H,27,33)/t24-/m1/s1
InChIKeyZEPGCEBSXNHYHW-XMMPIXPASA-N
MW436.52 g/mol
LogP3.75
Rot. Bonds6

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

N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 95060249) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID95060249
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H24N6O/c1-19-12-14-22(15-13-19)23-16-24(21-10-6-3-7-11-21)32-26(28-29-30-32)31(23)18-25(33)27-17-20-8-4-2-5-9-20/h2-16,24H,17-18H2,1H3,(H,27,33)/t24-/m1/s1
InChIKeyZEPGCEBSXNHYHW-XMMPIXPASA-N
XLogP3.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(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
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
N-(2-methoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060243
2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 95060621
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(2-methoxyphenyl)acetamide
CID 95060486
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060394
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
2-[5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046425

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 95060249) is N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is ZEPGCEBSXNHYHW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N6O/c1-19-12-14-22(15-13-19)23-16-24(21-10-6-3-7-11-21)32-26(28-29-30-32)31(23)18-25(33)27-17-20-8-4-2-5-9-20/h2-16,24H,17-18H2,1H3,(H,27,33)/t24-/m1/s1.
What are the key properties of N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 436.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).