1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline

C23H23FN4O2 — CID 175695188

IUPAC1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline
SMILESCOc1cc(F)cc(N2CC(c3cnn(C4CCCCO4)c3)=Nc3ccccc32)c1
InChIInChI=1S/C23H23FN4O2/c1-29-19-11-17(24)10-18(12-19)27-15-21(26-20-6-2-3-7-22(20)27)16-13-25-28(14-16)23-8-4-5-9-30-23/h2-3,6-7,10-14,23H,4-5,8-9,15H2,1H3
InChIKeyIAACYXYBVHJMLJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.00
Rot. Bonds4

About 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline

1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline (PubChem CID 175695188) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline
PubChem CID175695188
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline
SMILESCOc1cc(F)cc(N2CC(c3cnn(C4CCCCO4)c3)=Nc3ccccc32)c1
InChIInChI=1S/C23H23FN4O2/c1-29-19-11-17(24)10-18(12-19)27-15-21(26-20-6-2-3-7-22(20)27)16-13-25-28(14-16)23-8-4-5-9-30-23/h2-3,6-7,10-14,23H,4-5,8-9,15H2,1H3
InChIKeyIAACYXYBVHJMLJ-UHFFFAOYSA-N
XLogP5.00
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156756104
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
4-ethyl-3-(3-methoxyphenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1,4-diazepan-2-one
CID 175035179
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline (CID 175695188) is 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline is COc1cc(F)cc(N2CC(c3cnn(C4CCCCO4)c3)=Nc3ccccc32)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline?
The InChIKey is IAACYXYBVHJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-29-19-11-17(24)10-18(12-19)27-15-21(26-20-6-2-3-7-22(20)27)16-13-25-28(14-16)23-8-4-5-9-30-23/h2-3,6-7,10-14,23H,4-5,8-9,15H2,1H3.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline?
1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline has a molecular weight of 406.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-2H-quinoxaline is sourced from PubChem (CID 175695188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).