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

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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).