N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H17F3N4O2S — CID 90307499

IUPACN-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1[nH]n2c(=O)cc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)nc2c1-c1cccs1
InChIInChI=1S/C21H17F3N4O2S/c1-12-19(16-3-2-8-31-16)20-26-15(10-18(30)28(20)27-12)11-25-17(29)9-13-4-6-14(7-5-13)21(22,23)24/h2-8,10,27H,9,11H2,1H3,(H,25,29)
InChIKeyMATNYWIMJSQIPI-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.94
Rot. Bonds5

About N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90307499) has the molecular formula C21H17F3N4O2S and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90307499
Molecular FormulaC21H17F3N4O2S
Molecular Weight446.45 g/mol
Exact Mass446.10
IUPAC NameN-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1[nH]n2c(=O)cc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)nc2c1-c1cccs1
InChIInChI=1S/C21H17F3N4O2S/c1-12-19(16-3-2-8-31-16)20-26-15(10-18(30)28(20)27-12)11-25-17(29)9-13-4-6-14(7-5-13)21(22,23)24/h2-8,10,27H,9,11H2,1H3,(H,25,29)
InChIKeyMATNYWIMJSQIPI-UHFFFAOYSA-N
XLogP3.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 90307499) is N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1[nH]n2c(=O)cc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)nc2c1-c1cccs1.
What is the InChIKey of N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MATNYWIMJSQIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2S/c1-12-19(16-3-2-8-31-16)20-26-15(10-18(30)28(20)27-12)11-25-17(29)9-13-4-6-14(7-5-13)21(22,23)24/h2-8,10,27H,9,11H2,1H3,(H,25,29).
What are the key properties of N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 446.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90307499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).