1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

C25H26ClF3N6 — CID 46871637

About 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 46871637) has the molecular formula C25H26ClF3N6 and a molecular weight of 502.97 g/mol. Its IUPAC name is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
• PubChem CID: 46871637
• Molecular Formula: C25H26ClF3N6
• Molecular Weight: 502.97 g/mol
• Exact Mass: 502.19
• IUPAC Name: 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
• SMILES: CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1
• InChI: InChI=1S/C25H26ClF3N6/c1-33-8-10-34(11-9-33)23-5-2-17(14-31-23)18-13-22-24(32-15-18)30-6-7-35(22)16-19-12-20(26)3-4-21(19)25(27,28)29/h2-5,12-15H,6-11,16H2,1H3,(H,30,32)
• InChIKey: LJKJYKWDLJUZHA-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 47.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.97
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The IUPAC name of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 46871637) is 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

What is the SMILES notation for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The canonical SMILES for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1.

What is the InChIKey of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The InChIKey is LJKJYKWDLJUZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N6/c1-33-8-10-34(11-9-33)23-5-2-17(14-31-23)18-13-22-24(32-15-18)30-6-7-35(22)16-19-12-20(26)3-4-21(19)25(27,28)29/h2-5,12-15H,6-11,16H2,1H3,(H,30,32).

What are the key properties of 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 502.97 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 46871637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).