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

C29H34Cl2N8O3 — CID 164996241

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

4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine (PubChem CID 164996241) has the molecular formula C29H34Cl2N8O3 and a molecular weight of 613.55 g/mol. Its IUPAC name is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine
• PubChem CID: 164996241
• Molecular Formula: C29H34Cl2N8O3
• Molecular Weight: 613.55 g/mol
• Exact Mass: 612.21
• IUPAC Name: 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine
• SMILES: Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.Clc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C17H21ClN4O2.C12H13ClN4O/c18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17/h4-5,11-12,17H,1-3,6-10H2;1-2,7-8H,3-6H2,(H,14,16)
• InChIKey: HPCVVJYBEOODER-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 106.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine (CID 164996241) is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine.

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

The canonical SMILES for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine is Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.Clc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1.

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

The InChIKey is HPCVVJYBEOODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2.C12H13ClN4O/c18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17/h4-5,11-12,17H,1-3,6-10H2;1-2,7-8H,3-6H2,(H,14,16).

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

4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine has a molecular weight of 613.55 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 164996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).