2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide

C16H14F3N3OS — CID 146290599

IUPAC2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide
SMILESCC(C)(C(N)=O)n1ccc2ncc(-c3ccc(C(F)(F)F)s3)cc21
InChIInChI=1S/C16H14F3N3OS/c1-15(2,14(20)23)22-6-5-10-11(22)7-9(8-21-10)12-3-4-13(24-12)16(17,18)19/h3-8H,1-2H3,(H2,20,23)
InChIKeyQSSGOCHVJYABGQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.00
Rot. Bonds3

About 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide

2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide (PubChem CID 146290599) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide
PubChem CID146290599
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide
SMILESCC(C)(C(N)=O)n1ccc2ncc(-c3ccc(C(F)(F)F)s3)cc21
InChIInChI=1S/C16H14F3N3OS/c1-15(2,14(20)23)22-6-5-10-11(22)7-9(8-21-10)12-3-4-13(24-12)16(17,18)19/h3-8H,1-2H3,(H2,20,23)
InChIKeyQSSGOCHVJYABGQ-UHFFFAOYSA-N
XLogP4.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
N,N-dimethyl-2-[6-(4-methylthiophen-2-yl)pyrrolo[3,2-b]pyridin-1-yl]acetamide
CID 124175991
US10377753, Example 378
CID 124176232
US10377753, Example 386
CID 124176242
US10377753, Example 426
CID 124176277
US10377753, Example 438
CID 124176291
US10377753, Example 441
CID 124176295
2-[2-(5-methylthiophen-2-yl)indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 137648253
US10377753, Example 96
CID 124175946
US10377753, Example 97
CID 124175947
US10377753, Example 279
CID 124176129
US10377753, Example 281
CID 124176131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide?
The IUPAC name of 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide (CID 146290599) is 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide?
The canonical SMILES for 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide is CC(C)(C(N)=O)n1ccc2ncc(-c3ccc(C(F)(F)F)s3)cc21.
What is the InChIKey of 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide?
The InChIKey is QSSGOCHVJYABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-15(2,14(20)23)22-6-5-10-11(22)7-9(8-21-10)12-3-4-13(24-12)16(17,18)19/h3-8H,1-2H3,(H2,20,23).
What are the key properties of 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide?
2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide has a molecular weight of 353.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-[5-(trifluoromethyl)thiophen-2-yl]pyrrolo[3,2-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 146290599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).