(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine

C24H28FN3O2 — CID 70765080

IUPAC(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2C[C@@H](C)O[C@@H](C)C2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-16-7-5-6-8-22(16)28-15-20(14-27-12-17(2)30-18(3)13-27)24(26-28)19-9-10-23(29-4)21(25)11-19/h5-11,15,17-18H,12-14H2,1-4H3/t17-,18+
InChIKeyYNDPAUHGROYUNG-HDICACEKSA-N
MW409.51 g/mol
LogP4.60
Rot. Bonds5

About (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 70765080) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID70765080
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2C[C@@H](C)O[C@@H](C)C2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-16-7-5-6-8-22(16)28-15-20(14-27-12-17(2)30-18(3)13-27)24(26-28)19-9-10-23(29-4)21(25)11-19/h5-11,15,17-18H,12-14H2,1-4H3/t17-,18+
InChIKeyYNDPAUHGROYUNG-HDICACEKSA-N
XLogP4.60
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 70765080) is (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine is COc1ccc(-c2nn(-c3ccccc3C)cc2CN2C[C@@H](C)O[C@@H](C)C2)cc1F.
What is the InChIKey of (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is YNDPAUHGROYUNG-HDICACEKSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-7-5-6-8-22(16)28-15-20(14-27-12-17(2)30-18(3)13-27)24(26-28)19-9-10-23(29-4)21(25)11-19/h5-11,15,17-18H,12-14H2,1-4H3/t17-,18+.
What are the key properties of (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 409.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 70765080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).