5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

C22H23ClN4O4 — CID 124999007

About 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one (PubChem CID 124999007) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one
• PubChem CID: 124999007
• Molecular Formula: C22H23ClN4O4
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.14
• IUPAC Name: 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one
• SMILES: Cn1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O
• InChI: InChI=1S/C22H23ClN4O4/c1-26-13-15(6-7-21(26)28)22(29)27-9-11-31-20(14-27)18-12-16(24-25-18)8-10-30-19-5-3-2-4-17(19)23/h2-7,12-13,20H,8-11,14H2,1H3,(H,24,25)/t20-/m0/s1
• InChIKey: RLTXNHCLJVWQHC-FQEVSTJZSA-N
• XLogP: 2.60
• TPSA: 89.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one?

The IUPAC name of 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one (CID 124999007) is 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O.

What is the InChIKey of 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one?

The InChIKey is RLTXNHCLJVWQHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-26-13-15(6-7-21(26)28)22(29)27-9-11-31-20(14-27)18-12-16(24-25-18)8-10-30-19-5-3-2-4-17(19)23/h2-7,12-13,20H,8-11,14H2,1H3,(H,24,25)/t20-/m0/s1.

What are the key properties of 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one?

5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one has a molecular weight of 442.90 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 124999007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).