(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

C21H22ClN5O3 — CID 125004502

About (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone (PubChem CID 125004502) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
• PubChem CID: 125004502
• Molecular Formula: C21H22ClN5O3
• Molecular Weight: 427.89 g/mol
• Exact Mass: 427.14
• IUPAC Name: (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
• SMILES: Nc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1
• InChI: InChI=1S/C21H22ClN5O3/c22-15-2-4-17(5-3-15)29-9-7-16-11-18(26-25-16)19-13-27(8-10-30-19)21(28)14-1-6-20(23)24-12-14/h1-6,11-12,19H,7-10,13H2,(H2,23,24)(H,25,26)/t19-/m1/s1
• InChIKey: SYWSDIPQBZNHEI-LJQANCHMSA-N
• XLogP: 2.88
• TPSA: 106.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.89
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?

The IUPAC name of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone (CID 125004502) is (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone.

What is the SMILES notation for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?

The canonical SMILES for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone is Nc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1.

What is the InChIKey of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?

The InChIKey is SYWSDIPQBZNHEI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c22-15-2-4-17(5-3-15)29-9-7-16-11-18(26-25-16)19-13-27(8-10-30-19)21(28)14-1-6-20(23)24-12-14/h1-6,11-12,19H,7-10,13H2,(H2,23,24)(H,25,26)/t19-/m1/s1.

What are the key properties of (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone?

(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone has a molecular weight of 427.89 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 125004502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).