2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline

C17H15F2N5 — CID 142383413

IUPAC2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline
SMILESCn1cc2c(n1)C(c1cnc3ccccc3n1)=NC(C)(C)C2(F)F
InChIInChI=1S/C17H15F2N5/c1-16(2)17(18,19)10-9-24(3)23-14(10)15(22-16)13-8-20-11-6-4-5-7-12(11)21-13/h4-9H,1-3H3
InChIKeyQSFMTVXVCOANJR-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.08
Rot. Bonds1

About 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline

2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline (PubChem CID 142383413) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline.

Molecular Properties

Compound Name2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline
PubChem CID142383413
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline
SMILESCn1cc2c(n1)C(c1cnc3ccccc3n1)=NC(C)(C)C2(F)F
InChIInChI=1S/C17H15F2N5/c1-16(2)17(18,19)10-9-24(3)23-14(10)15(22-16)13-8-20-11-6-4-5-7-12(11)21-13/h4-9H,1-3H3
InChIKeyQSFMTVXVCOANJR-UHFFFAOYSA-N
XLogP3.08
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline?
The IUPAC name of 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline (CID 142383413) is 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline.
What is the SMILES notation for 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline?
The canonical SMILES for 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline is Cn1cc2c(n1)C(c1cnc3ccccc3n1)=NC(C)(C)C2(F)F.
What is the InChIKey of 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline?
The InChIKey is QSFMTVXVCOANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c1-16(2)17(18,19)10-9-24(3)23-14(10)15(22-16)13-8-20-11-6-4-5-7-12(11)21-13/h4-9H,1-3H3.
What are the key properties of 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline?
2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline has a molecular weight of 327.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2,5,5-trimethylpyrazolo[3,4-c]pyridin-7-yl)quinoxaline is sourced from PubChem (CID 142383413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).