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

C22H18F6N8O — CID 58645768

IUPAC3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C22H18F6N8O/c1-36(2)7-8-37-17-9-13(22(26,27)28)18(35-34-17)15-11-31-19-14(5-6-29-20(19)33-15)32-16-4-3-12(10-30-16)21(23,24)25/h3-6,9-11H,7-8H2,1-2H3,(H,29,30,32,33)
InChIKeyUNTCHJYQZBFALC-UHFFFAOYSA-N
MW524.43 g/mol
LogP4.60
Rot. Bonds7

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

3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645768) has the molecular formula C22H18F6N8O and a molecular weight of 524.43 g/mol. Its IUPAC name is 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645768
Molecular FormulaC22H18F6N8O
Molecular Weight524.43 g/mol
Exact Mass524.15
IUPAC Name3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)CCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C22H18F6N8O/c1-36(2)7-8-37-17-9-13(22(26,27)28)18(35-34-17)15-11-31-19-14(5-6-29-20(19)33-15)32-16-4-3-12(10-30-16)21(23,24)25/h3-6,9-11H,7-8H2,1-2H3,(H,29,30,32,33)
InChIKeyUNTCHJYQZBFALC-UHFFFAOYSA-N
XLogP4.60
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645768) is 3-[6-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN(C)CCOc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is UNTCHJYQZBFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N8O/c1-36(2)7-8-37-17-9-13(22(26,27)28)18(35-34-17)15-11-31-19-14(5-6-29-20(19)33-15)32-16-4-3-12(10-30-16)21(23,24)25/h3-6,9-11H,7-8H2,1-2H3,(H,29,30,32,33).
What are the key properties of 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 524.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).