2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide

C23H17N5O2S — CID 25281580

IUPAC2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C23H17N5O2S/c1-14-11-20(26-22(30)21(29)17-12-24-18-10-6-5-9-16(17)18)28(27-14)23-25-19(13-31-23)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,26,30)
InChIKeyCEAVMWFVZCXKJQ-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.61
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide (PubChem CID 25281580) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide
PubChem CID25281580
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C23H17N5O2S/c1-14-11-20(26-22(30)21(29)17-12-24-18-10-6-5-9-16(17)18)28(27-14)23-25-19(13-31-23)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,26,30)
InChIKeyCEAVMWFVZCXKJQ-UHFFFAOYSA-N
XLogP4.61
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
CID 39859814
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 135551580
N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 25281523
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90571131
2-(1H-indol-3-yl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-2-oxoacetamide
CID 135880901
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90571069
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 24572043
tricopper;tetrakis(2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole);hexanitrate
CID 139176827

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide (CID 25281580) is 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide?
The InChIKey is CEAVMWFVZCXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-14-11-20(26-22(30)21(29)17-12-24-18-10-6-5-9-16(17)18)28(27-14)23-25-19(13-31-23)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,26,30).
What are the key properties of 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide has a molecular weight of 427.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 25281580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).