N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C26H23N7OS — CID 55551730

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C26H23N7OS/c1-19-15-23(32(31-19)17-20-9-4-2-5-10-20)28-24(34)18-35-26-30-29-25(21-11-8-14-27-16-21)33(26)22-12-6-3-7-13-22/h2-16H,17-18H2,1H3,(H,28,34)
InChIKeyHMPPKXVXSWUKAO-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.61
Rot. Bonds8

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 55551730) has the molecular formula C26H23N7OS and a molecular weight of 481.59 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID55551730
Molecular FormulaC26H23N7OS
Molecular Weight481.59 g/mol
Exact Mass481.17
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C26H23N7OS/c1-19-15-23(32(31-19)17-20-9-4-2-5-10-20)28-24(34)18-35-26-30-29-25(21-11-8-14-27-16-21)33(26)22-12-6-3-7-13-22/h2-16H,17-18H2,1H3,(H,28,34)
InChIKeyHMPPKXVXSWUKAO-UHFFFAOYSA-N
XLogP4.61
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]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

N-(3,5-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5095561
N-(2,5-dimethylpyrazol-3-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24570493
N-[2-(3-chlorophenyl)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39731190
2-[[4-(4-chloro-3-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1241643
N-(3-chloro-4-cyanophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 31512696
N-(2,6-dimethylphenyl)-2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3214539
2-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 22108325
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 51135523
2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549245
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24635310
methyl 2,4-difluoro-5-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 24659285
N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112785096

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 55551730) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HMPPKXVXSWUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7OS/c1-19-15-23(32(31-19)17-20-9-4-2-5-10-20)28-24(34)18-35-26-30-29-25(21-11-8-14-27-16-21)33(26)22-12-6-3-7-13-22/h2-16H,17-18H2,1H3,(H,28,34).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 55551730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).