4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C23H20N8OS — CID 24956847

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(Cc3ccc(-n4cncn4)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H20N8OS/c1-16-21(22(32)26-12-18-3-2-9-24-11-18)33-23(28-16)20-8-10-30(29-20)13-17-4-6-19(7-5-17)31-15-25-14-27-31/h2-11,14-15H,12-13H2,1H3,(H,26,32)
InChIKeyVZBHCJJQVKGFSC-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.27
Rot. Bonds7

About 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 24956847) has the molecular formula C23H20N8OS and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID24956847
Molecular FormulaC23H20N8OS
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(Cc3ccc(-n4cncn4)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H20N8OS/c1-16-21(22(32)26-12-18-3-2-9-24-11-18)33-23(28-16)20-8-10-30(29-20)13-17-4-6-19(7-5-17)31-15-25-14-27-31/h2-11,14-15H,12-13H2,1H3,(H,26,32)
InChIKeyVZBHCJJQVKGFSC-UHFFFAOYSA-N
XLogP3.27
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide 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

4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956493
4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956492
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 59489550
2-[1-[2-[(4-fluorobenzoyl)amino]ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59489563
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 112828582
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 24615819
2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24952222

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 24956847) is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(Cc3ccc(-n4cncn4)cc3)n2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VZBHCJJQVKGFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8OS/c1-16-21(22(32)26-12-18-3-2-9-24-11-18)33-23(28-16)20-8-10-30(29-20)13-17-4-6-19(7-5-17)31-15-25-14-27-31/h2-11,14-15H,12-13H2,1H3,(H,26,32).
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24956847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).