3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C25H23F6N9 — CID 57446876

About 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446876) has the molecular formula C25H23F6N9 and a molecular weight of 563.51 g/mol. Its IUPAC name is 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
• PubChem CID: 57446876
• Molecular Formula: C25H23F6N9
• Molecular Weight: 563.51 g/mol
• Exact Mass: 563.20
• IUPAC Name: 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
• SMILES: CN(C)C1CCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1
• InChI: InChI=1S/C25H23F6N9/c1-39(2)15-6-9-40(10-7-15)20-11-16(25(29,30)31)21(38-37-20)18-13-34-22-17(5-8-32-23(22)36-18)35-19-4-3-14(12-33-19)24(26,27)28/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,32,33,35,36)
• InChIKey: RNWRMIUWUJSQDS-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 95.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.51
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?

The IUPAC name of 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446876) is 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

What is the SMILES notation for 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?

The canonical SMILES for 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN(C)C1CCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1.

What is the InChIKey of 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?

The InChIKey is RNWRMIUWUJSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N9/c1-39(2)15-6-9-40(10-7-15)20-11-16(25(29,30)31)21(38-37-20)18-13-34-22-17(5-8-32-23(22)36-18)35-19-4-3-14(12-33-19)24(26,27)28/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,32,33,35,36).

What are the key properties of 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?

3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 563.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).