(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one

C20H23FN4O3 — CID 126838597

IUPAC(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one
SMILESCCN1C(=O)CO[C@H](C(=O)N2CC(c3ccc(F)cc3)C2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C20H23FN4O3/c1-3-25-17(26)12-28-19(18(25)14-8-22-23(2)9-14)20(27)24-10-15(11-24)13-4-6-16(21)7-5-13/h4-9,15,18-19H,3,10-12H2,1-2H3/t18-,19+/m1/s1
InChIKeyMQGLIOKKWRDPKM-MOPGFXCFSA-N
MW386.43 g/mol
LogP1.47
Rot. Bonds4

About (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one

(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one (PubChem CID 126838597) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one
PubChem CID126838597
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one
SMILESCCN1C(=O)CO[C@H](C(=O)N2CC(c3ccc(F)cc3)C2)[C@H]1c1cnn(C)c1
InChIInChI=1S/C20H23FN4O3/c1-3-25-17(26)12-28-19(18(25)14-8-22-23(2)9-14)20(27)24-10-15(11-24)13-4-6-16(21)7-5-13/h4-9,15,18-19H,3,10-12H2,1-2H3/t18-,19+/m1/s1
InChIKeyMQGLIOKKWRDPKM-MOPGFXCFSA-N
XLogP1.47
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one?
The IUPAC name of (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one (CID 126838597) is (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one?
The canonical SMILES for (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one is CCN1C(=O)CO[C@H](C(=O)N2CC(c3ccc(F)cc3)C2)[C@H]1c1cnn(C)c1.
What is the InChIKey of (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one?
The InChIKey is MQGLIOKKWRDPKM-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-3-25-17(26)12-28-19(18(25)14-8-22-23(2)9-14)20(27)24-10-15(11-24)13-4-6-16(21)7-5-13/h4-9,15,18-19H,3,10-12H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one?
(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one has a molecular weight of 386.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one is sourced from PubChem (CID 126838597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).