2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline

C24H17FN4O — CID 11610941

IUPAC2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESFc1cc(-c2[nH]ncc2-c2ccncc2)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C24H17FN4O/c25-21-13-18(24-20(14-27-29-24)16-9-11-26-12-10-16)6-8-23(21)30-15-19-7-5-17-3-1-2-4-22(17)28-19/h1-14H,15H2,(H,27,29)
InChIKeyYOABOEUHOSBBNP-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.41
Rot. Bonds5

About 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline

2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (PubChem CID 11610941) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
PubChem CID11610941
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESFc1cc(-c2[nH]ncc2-c2ccncc2)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C24H17FN4O/c25-21-13-18(24-20(14-27-29-24)16-9-11-26-12-10-16)6-8-23(21)30-15-19-7-5-17-3-1-2-4-22(17)28-19/h1-14H,15H2,(H,27,29)
InChIKeyYOABOEUHOSBBNP-UHFFFAOYSA-N
XLogP5.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (CID 11610941) is 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is Fc1cc(-c2[nH]ncc2-c2ccncc2)ccc1OCc1ccc2ccccc2n1.
What is the InChIKey of 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The InChIKey is YOABOEUHOSBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-21-13-18(24-20(14-27-29-24)16-9-11-26-12-10-16)6-8-23(21)30-15-19-7-5-17-3-1-2-4-22(17)28-19/h1-14H,15H2,(H,27,29).
What are the key properties of 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline has a molecular weight of 396.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11610941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).