1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C26H26ClF3N6O — CID 46906794

About 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 46906794) has the molecular formula C26H26ClF3N6O and a molecular weight of 530.98 g/mol. Its IUPAC name is 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 46906794
• Molecular Formula: C26H26ClF3N6O
• Molecular Weight: 530.98 g/mol
• Exact Mass: 530.18
• IUPAC Name: 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)ccn2)CC1
• InChI: InChI=1S/C26H26ClF3N6O/c1-17(37)34-8-10-35(11-9-34)24-14-18(4-5-31-24)19-13-23-25(33-15-19)32-6-7-36(23)16-20-12-21(27)2-3-22(20)26(28,29)30/h2-5,12-15H,6-11,16H2,1H3,(H,32,33)
• InChIKey: KPWGSBOUOGDCIQ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.98
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 46906794) is 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)ccn2)CC1.

What is the InChIKey of 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is KPWGSBOUOGDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N6O/c1-17(37)34-8-10-35(11-9-34)24-14-18(4-5-31-24)19-13-23-25(33-15-19)32-6-7-36(23)16-20-12-21(27)2-3-22(20)26(28,29)30/h2-5,12-15H,6-11,16H2,1H3,(H,32,33).

What are the key properties of 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 530.98 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46906794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).