(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine

C21H23FN4O2 — CID 124980222

IUPAC(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
SMILESFc1ccccc1OCCc1cc([C@H]2CN(Cc3cccnc3)CCO2)n[nH]1
InChIInChI=1S/C21H23FN4O2/c22-18-5-1-2-6-20(18)27-10-7-17-12-19(25-24-17)21-15-26(9-11-28-21)14-16-4-3-8-23-13-16/h1-6,8,12-13,21H,7,9-11,14-15H2,(H,24,25)/t21-/m1/s1
InChIKeyMHDVAVWQHDKENE-OAQYLSRUSA-N
MW382.44 g/mol
LogP3.14
Rot. Bonds7

About (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine

(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine (PubChem CID 124980222) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
PubChem CID124980222
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
SMILESFc1ccccc1OCCc1cc([C@H]2CN(Cc3cccnc3)CCO2)n[nH]1
InChIInChI=1S/C21H23FN4O2/c22-18-5-1-2-6-20(18)27-10-7-17-12-19(25-24-17)21-15-26(9-11-28-21)14-16-4-3-8-23-13-16/h1-6,8,12-13,21H,7,9-11,14-15H2,(H,24,25)/t21-/m1/s1
InChIKeyMHDVAVWQHDKENE-OAQYLSRUSA-N
XLogP3.14
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980221
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124941763
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953
5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 95831342
3-[[3-[5-[(4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 127252203
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine (CID 124980222) is (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine is Fc1ccccc1OCCc1cc([C@H]2CN(Cc3cccnc3)CCO2)n[nH]1.
What is the InChIKey of (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine?
The InChIKey is MHDVAVWQHDKENE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-18-5-1-2-6-20(18)27-10-7-17-12-19(25-24-17)21-15-26(9-11-28-21)14-16-4-3-8-23-13-16/h1-6,8,12-13,21H,7,9-11,14-15H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine?
(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine has a molecular weight of 382.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 124980222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).