4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine

C26H31FN4O2 — CID 29258599

IUPAC4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C26H31FN4O2/c1-32-23-7-8-24(25(27)17-23)26-20(19-31(28-26)22-5-3-2-4-6-22)18-29-11-9-21(10-12-29)30-13-15-33-16-14-30/h2-8,17,19,21H,9-16,18H2,1H3
InChIKeyOZLHVROHTXIDIM-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.98
Rot. Bonds6

About 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine

4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine (PubChem CID 29258599) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine
PubChem CID29258599
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C26H31FN4O2/c1-32-23-7-8-24(25(27)17-23)26-20(19-31(28-26)22-5-3-2-4-6-22)18-29-11-9-21(10-12-29)30-13-15-33-16-14-30/h2-8,17,19,21H,9-16,18H2,1H3
InChIKeyOZLHVROHTXIDIM-UHFFFAOYSA-N
XLogP3.98
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine (CID 29258599) is 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCOCC3)CC2)c(F)c1.
What is the InChIKey of 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine?
The InChIKey is OZLHVROHTXIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-32-23-7-8-24(25(27)17-23)26-20(19-31(28-26)22-5-3-2-4-6-22)18-29-11-9-21(10-12-29)30-13-15-33-16-14-30/h2-8,17,19,21H,9-16,18H2,1H3.
What are the key properties of 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine?
4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine has a molecular weight of 450.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 29258599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).