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

C23H20F6N8 — CID 57446882

IUPAC3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C23H20F6N8/c1-3-4-9-37(2)18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(7-8-30-21(20)34-16)33-17-6-5-13(11-31-17)22(24,25)26/h5-8,10-12H,3-4,9H2,1-2H3,(H,30,31,33,34)
InChIKeyZIHYDIFBTIJEFN-UHFFFAOYSA-N
MW522.46 g/mol
LogP5.89
Rot. Bonds7

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

3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446882) has the molecular formula C23H20F6N8 and a molecular weight of 522.46 g/mol. Its IUPAC name is 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446882
Molecular FormulaC23H20F6N8
Molecular Weight522.46 g/mol
Exact Mass522.17
IUPAC Name3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCCN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C23H20F6N8/c1-3-4-9-37(2)18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(7-8-30-21(20)34-16)33-17-6-5-13(11-31-17)22(24,25)26/h5-8,10-12H,3-4,9H2,1-2H3,(H,30,31,33,34)
InChIKeyZIHYDIFBTIJEFN-UHFFFAOYSA-N
XLogP5.89
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446882) is 3-[6-[butyl(methyl)amino]-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-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCCCN(C)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is ZIHYDIFBTIJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N8/c1-3-4-9-37(2)18-10-14(23(27,28)29)19(36-35-18)16-12-32-20-15(7-8-30-21(20)34-16)33-17-6-5-13(11-31-17)22(24,25)26/h5-8,10-12H,3-4,9H2,1-2H3,(H,30,31,33,34).
What are the key properties of 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[butyl(methyl)amino]-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 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[butyl(methyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).