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

C25H21ClN6O — CID 95060394

IUPACN-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(Cl)c3)c3nnnn32)cc1
InChIInChI=1S/C25H21ClN6O/c1-17-10-12-19(13-11-17)23-15-22(18-6-3-2-4-7-18)31(25-28-29-30-32(23)25)16-24(33)27-21-9-5-8-20(26)14-21/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m0/s1
InChIKeyVFNKHMJVQYBZGC-QHCPKHFHSA-N
MW456.94 g/mol
LogP4.72
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 95060394) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
PubChem CID95060394
Molecular FormulaC25H21ClN6O
Molecular Weight456.94 g/mol
Exact Mass456.15
IUPAC NameN-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
SMILESCc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(Cl)c3)c3nnnn32)cc1
InChIInChI=1S/C25H21ClN6O/c1-17-10-12-19(13-11-17)23-15-22(18-6-3-2-4-7-18)31(25-28-29-30-32(23)25)16-24(33)27-21-9-5-8-20(26)14-21/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m0/s1
InChIKeyVFNKHMJVQYBZGC-QHCPKHFHSA-N
XLogP4.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7S)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
CID 95060608
N-(3,4-difluorophenyl)-2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53046528
2-[(7R)-7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 95060611
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 53046552
N-(3,4-dimethylphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060259
2-[5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53046479
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 53214294
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)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 95060487
2-[(7S)-5-(4-chlorophenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(3,5-difluorophenyl)acetamide
CID 95060349

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 95060394) is N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is Cc1ccc([C@@H]2C=C(c3ccccc3)N(CC(=O)Nc3cccc(Cl)c3)c3nnnn32)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
The InChIKey is VFNKHMJVQYBZGC-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H21ClN6O/c1-17-10-12-19(13-11-17)23-15-22(18-6-3-2-4-7-18)31(25-28-29-30-32(23)25)16-24(33)27-21-9-5-8-20(26)14-21/h2-15,23H,16H2,1H3,(H,27,33)/t23-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide?
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 456.94 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 95060394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).