2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol

C₄₂H₅₂Cl₃IN₁₂O₆ — CID 165006055

About 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol

2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol (PubChem CID 165006055) has the molecular formula C₄₂H₅₂Cl₃IN₁₂O₆ and a molecular weight of 1054.22 g/mol. Its IUPAC name is 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol.

Molecular Properties

• Compound Name: 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol
• PubChem CID: 165006055
• Molecular Formula: C₄₂H₅₂Cl₃IN₁₂O₆
• Molecular Weight: 1054.22 g/mol
• Exact Mass: 1052.22
• IUPAC Name: 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol
• SMILES: Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.OCCI.OCCn1ccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.OCCn1nccc1-c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/2C14H17ClN4O2.C12H13ClN4O.C2H5IO/c15-11-9-12(13-1-2-16-19(13)3-6-20)17-14(10-11)18-4-7-21-8-5-18;15-11-9-13(12-1-2-19(17-12)3-6-20)16-14(10-11)18-4-7-21-8-5-18;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17;3-1-2-4/h2*1-2,9-10,20H,3-8H2;1-2,7-8H,3-6H2,(H,14,16);4H,1-2H2
• InChIKey: IYZWWXNBMHIAAN-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 201.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.22
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol?

The IUPAC name of 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol (CID 165006055) is 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol.

What is the SMILES notation for 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol?

The canonical SMILES for 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol is Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.OCCI.OCCn1ccc(-c2cc(Cl)cc(N3CCOCC3)n2)n1.OCCn1nccc1-c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol?

The InChIKey is IYZWWXNBMHIAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17ClN4O2.C12H13ClN4O.C2H5IO/c15-11-9-12(13-1-2-16-19(13)3-6-20)17-14(10-11)18-4-7-21-8-5-18;15-11-9-13(12-1-2-19(17-12)3-6-20)16-14(10-11)18-4-7-21-8-5-18;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17;3-1-2-4/h2*1-2,9-10,20H,3-8H2;1-2,7-8H,3-6H2,(H,14,16);4H,1-2H2.

What are the key properties of 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol?

2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol has a molecular weight of 1054.22 g/mol, XLogP of 5.23, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;2-[5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazol-1-yl]ethanol;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;2-iodoethanol is sourced from PubChem (CID 165006055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165006055 — identifiers, structure, computed properties (public domain)

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