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

C23H20F6N8 — CID 58645684

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

3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645684) has the molecular formula C23H20F6N8 and a molecular weight of 522.46 g/mol. Its IUPAC name is 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
• PubChem CID: 58645684
• Molecular Formula: C23H20F6N8
• Molecular Weight: 522.46 g/mol
• Exact Mass: 522.17
• IUPAC Name: 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
• SMILES: CCCCCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
• InChI: InChI=1S/C23H20F6N8/c1-2-3-4-8-30-18-10-14(23(27,28)29)19(37-36-18)16-12-33-20-15(7-9-31-21(20)35-16)34-17-6-5-13(11-32-17)22(24,25)26/h5-7,9-12H,2-4,8H2,1H3,(H,30,36)(H,31,32,34,35)
• InChIKey: GDAMICIYCLIHPZ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 101.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.46
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645684) is 3-[6-(pentylamino)-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-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?

The canonical SMILES for 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCCCCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.

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

The InChIKey is GDAMICIYCLIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N8/c1-2-3-4-8-30-18-10-14(23(27,28)29)19(37-36-18)16-12-33-20-15(7-9-31-21(20)35-16)34-17-6-5-13(11-32-17)22(24,25)26/h5-7,9-12H,2-4,8H2,1H3,(H,30,36)(H,31,32,34,35).

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

3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 522.46 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).