2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline

C18H16F2N4 — CID 142383447

IUPAC2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline
SMILESCn1ccc2c1C(F)(F)C(C)(C)N=C2c1cnc2ccccc2n1
InChIInChI=1S/C18H16F2N4/c1-17(2)18(19,20)16-11(8-9-24(16)3)15(23-17)14-10-21-12-6-4-5-7-13(12)22-14/h4-10H,1-3H3
InChIKeyDZTGZJXUUHVVPK-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.69
Rot. Bonds1

About 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline

2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline (PubChem CID 142383447) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline.

Molecular Properties

Compound Name2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline
PubChem CID142383447
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline
SMILESCn1ccc2c1C(F)(F)C(C)(C)N=C2c1cnc2ccccc2n1
InChIInChI=1S/C18H16F2N4/c1-17(2)18(19,20)16-11(8-9-24(16)3)15(23-17)14-10-21-12-6-4-5-7-13(12)22-14/h4-10H,1-3H3
InChIKeyDZTGZJXUUHVVPK-UHFFFAOYSA-N
XLogP3.69
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline
CID 142383413
5,5,6,6-tetramethyl-8-quinoxalin-2-ylpyrido[3,4-d]pyrimidine
CID 135152842
2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine
CID 135152778
2-methyl-3-quinoxalin-2-ylquinoxaline
CID 171905215
3-(4,4,5-trifluoro-3,3-dimethylisoquinolin-1-yl)cinnoline
CID 135153104
ethane;2-methylquinoxaline
CID 90767427
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
1-(2-quinoxalin-2-ylphenyl)ethanone
CID 163871254
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-5,6,7,8-tetrahydroquinoxaline
CID 135152929
2-(2,4,6-trimethylphenyl)quinoxaline
CID 39830827

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline?
The IUPAC name of 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline (CID 142383447) is 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline.
What is the SMILES notation for 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline?
The canonical SMILES for 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline is Cn1ccc2c1C(F)(F)C(C)(C)N=C2c1cnc2ccccc2n1.
What is the InChIKey of 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline?
The InChIKey is DZTGZJXUUHVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-17(2)18(19,20)16-11(8-9-24(16)3)15(23-17)14-10-21-12-6-4-5-7-13(12)22-14/h4-10H,1-3H3.
What are the key properties of 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline?
2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline has a molecular weight of 326.35 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-difluoro-1,6,6-trimethylpyrrolo[3,2-c]pyridin-4-yl)quinoxaline is sourced from PubChem (CID 142383447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).