1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone

C26H29ClN6O2 — CID 143313537

About 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 143313537) has the molecular formula C26H29ClN6O2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
• PubChem CID: 143313537
• Molecular Formula: C26H29ClN6O2
• Molecular Weight: 493.01 g/mol
• Exact Mass: 492.20
• IUPAC Name: 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
• SMILES: Cc1ccc(-c2ncc(N3CCN(C(=O)CN4CCOCC4)CC3)nc2-c2ccncc2Cl)cc1
• InChI: InChI=1S/C26H29ClN6O2/c1-19-2-4-20(5-3-19)25-26(21-6-7-28-16-22(21)27)30-23(17-29-25)32-8-10-33(11-9-32)24(34)18-31-12-14-35-15-13-31/h2-7,16-17H,8-15,18H2,1H3
• InChIKey: OTEBEJVLLNAPJC-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 74.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.01
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?

The IUPAC name of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 143313537) is 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone.

What is the SMILES notation for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?

The canonical SMILES for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(-c2ncc(N3CCN(C(=O)CN4CCOCC4)CC3)nc2-c2ccncc2Cl)cc1.

What is the InChIKey of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?

The InChIKey is OTEBEJVLLNAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O2/c1-19-2-4-20(5-3-19)25-26(21-6-7-28-16-22(21)27)30-23(17-29-25)32-8-10-33(11-9-32)24(34)18-31-12-14-35-15-13-31/h2-7,16-17H,8-15,18H2,1H3.

What are the key properties of 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?

1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 493.01 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 143313537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).