2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone

C25H31N7O3 — CID 78012361

About 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 78012361) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
• PubChem CID: 78012361
• Molecular Formula: C25H31N7O3
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.25
• IUPAC Name: 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
• SMILES: COCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
• InChI: InChI=1S/C25H31N7O3/c1-34-17-23(33)32-11-9-31(10-12-32)19-4-2-18(3-5-19)21-14-22-24(28-7-6-27-22)25(30-21)29-16-20-15-26-8-13-35-20/h2-7,14,20,26H,8-13,15-17H2,1H3,(H,29,30)
• InChIKey: LKRHLLOMBAXMSK-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 104.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone (CID 78012361) is 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.

What is the InChIKey of 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?

The InChIKey is LKRHLLOMBAXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-34-17-23(33)32-11-9-31(10-12-32)19-4-2-18(3-5-19)21-14-22-24(28-7-6-27-22)25(30-21)29-16-20-15-26-8-13-35-20/h2-7,14,20,26H,8-13,15-17H2,1H3,(H,29,30).

What are the key properties of 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone?

2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 477.57 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78012361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).