N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide

C14H12F3N5OS — CID 155387054

IUPACN,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ncc2ncc(-c3ccc(C(F)(F)F)s3)nc21
InChIInChI=1S/C14H12F3N5OS/c1-21(2)12(23)7-22-13-9(6-19-22)18-5-8(20-13)10-3-4-11(24-10)14(15,16)17/h3-6H,7H2,1-2H3
InChIKeyIMHDZWHPHBMGIE-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.66
Rot. Bonds3

About N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide

N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide (PubChem CID 155387054) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide
PubChem CID155387054
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC NameN,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ncc2ncc(-c3ccc(C(F)(F)F)s3)nc21
InChIInChI=1S/C14H12F3N5OS/c1-21(2)12(23)7-22-13-9(6-19-22)18-5-8(20-13)10-3-4-11(24-10)14(15,16)17/h3-6H,7H2,1-2H3
InChIKeyIMHDZWHPHBMGIE-UHFFFAOYSA-N
XLogP2.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide (CID 155387054) is N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide is CN(C)C(=O)Cn1ncc2ncc(-c3ccc(C(F)(F)F)s3)nc21.
What is the InChIKey of N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide?
The InChIKey is IMHDZWHPHBMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-21(2)12(23)7-22-13-9(6-19-22)18-5-8(20-13)10-3-4-11(24-10)14(15,16)17/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide?
N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide has a molecular weight of 355.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[3,4-b]pyrazin-1-yl]acetamide is sourced from PubChem (CID 155387054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).