7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline

C42H28F2N10 — CID 67761043

IUPAC7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline
SMILESFc1cccc(-c2cnc3cc4cn(Cc5ccccn5)nc4cc3n2)c1.Fc1cccc(-c2cnc3cc4cnn(Cc5ccccn5)c4cc3n2)c1
InChIInChI=1S/2C21H14FN5/c22-16-5-3-4-14(8-16)21-11-24-19-9-15-12-27(13-17-6-1-2-7-23-17)26-18(15)10-20(19)25-21;22-16-5-3-4-14(8-16)20-12-24-18-9-15-11-25-27(21(15)10-19(18)26-20)13-17-6-1-2-7-23-17/h2*1-12H,13H2
InChIKeyFXHKWFTVQLHABO-UHFFFAOYSA-N
MW710.75 g/mol
LogP8.46
Rot. Bonds6

About 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline

7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline (PubChem CID 67761043) has the molecular formula C42H28F2N10 and a molecular weight of 710.75 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline
PubChem CID67761043
Molecular FormulaC42H28F2N10
Molecular Weight710.75 g/mol
Exact Mass710.25
IUPAC Name7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline
SMILESFc1cccc(-c2cnc3cc4cn(Cc5ccccn5)nc4cc3n2)c1.Fc1cccc(-c2cnc3cc4cnn(Cc5ccccn5)c4cc3n2)c1
InChIInChI=1S/2C21H14FN5/c22-16-5-3-4-14(8-16)21-11-24-19-9-15-12-27(13-17-6-1-2-7-23-17)26-18(15)10-20(19)25-21;22-16-5-3-4-14(8-16)20-12-24-18-9-15-11-25-27(21(15)10-19(18)26-20)13-17-6-1-2-7-23-17/h2*1-12H,13H2
InChIKeyFXHKWFTVQLHABO-UHFFFAOYSA-N
XLogP8.46
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.75
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline (CID 67761043) is 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline is Fc1cccc(-c2cnc3cc4cn(Cc5ccccn5)nc4cc3n2)c1.Fc1cccc(-c2cnc3cc4cnn(Cc5ccccn5)c4cc3n2)c1.
What is the InChIKey of 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline?
The InChIKey is FXHKWFTVQLHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14FN5/c22-16-5-3-4-14(8-16)21-11-24-19-9-15-12-27(13-17-6-1-2-7-23-17)26-18(15)10-20(19)25-21;22-16-5-3-4-14(8-16)20-12-24-18-9-15-11-25-27(21(15)10-19(18)26-20)13-17-6-1-2-7-23-17/h2*1-12H,13H2.
What are the key properties of 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline?
7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline has a molecular weight of 710.75 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline;7-(3-fluorophenyl)-2-(pyridin-2-ylmethyl)pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 67761043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).