N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine

C23H21F6N9 — CID 143215475

About N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine

N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 143215475) has the molecular formula C23H21F6N9 and a molecular weight of 537.47 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine
• PubChem CID: 143215475
• Molecular Formula: C23H21F6N9
• Molecular Weight: 537.47 g/mol
• Exact Mass: 537.18
• IUPAC Name: N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine
• SMILES: CCN(CCNC)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
• InChI: InChI=1S/C23H21F6N9/c1-3-38(9-8-30-2)18-10-14(23(27,28)29)19(37-36-18)16-12-33-20-15(6-7-31-21(20)35-16)34-17-5-4-13(11-32-17)22(24,25)26/h4-7,10-12,30H,3,8-9H2,1-2H3,(H,31,32,34,35)
• InChIKey: UFSCUSUMQNXFIZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 104.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.47
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine?

The IUPAC name of N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine (CID 143215475) is N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine?

The canonical SMILES for N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine is CCN(CCNC)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.

What is the InChIKey of N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine?

The InChIKey is UFSCUSUMQNXFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N9/c1-3-38(9-8-30-2)18-10-14(23(27,28)29)19(37-36-18)16-12-33-20-15(6-7-31-21(20)35-16)34-17-5-4-13(11-32-17)22(24,25)26/h4-7,10-12,30H,3,8-9H2,1-2H3,(H,31,32,34,35).

What are the key properties of N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine?

N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 537.47 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 143215475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).