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

C25H23F6N9 — CID 57446885

IUPAC3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)C1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1
InChIInChI=1S/C25H23F6N9/c1-39(2)15-4-3-9-40(13-15)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-14(11-33-19)24(26,27)28/h5-8,10-12,15H,3-4,9,13H2,1-2H3,(H,32,33,35,36)
InChIKeyARULDSDPCBVMMT-UHFFFAOYSA-N
MW563.51 g/mol
LogP5.19
Rot. Bonds5

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

3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446885) has the molecular formula C25H23F6N9 and a molecular weight of 563.51 g/mol. Its IUPAC name is 3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446885
Molecular FormulaC25H23F6N9
Molecular Weight563.51 g/mol
Exact Mass563.20
IUPAC Name3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCN(C)C1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1
InChIInChI=1S/C25H23F6N9/c1-39(2)15-4-3-9-40(13-15)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-14(11-33-19)24(26,27)28/h5-8,10-12,15H,3-4,9,13H2,1-2H3,(H,32,33,35,36)
InChIKeyARULDSDPCBVMMT-UHFFFAOYSA-N
XLogP5.19
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(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-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446885) is 3-[6-[3-(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-[3-(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-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CN(C)C1CCCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)C1.
What is the InChIKey of 3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is ARULDSDPCBVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N9/c1-39(2)15-4-3-9-40(13-15)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-14(11-33-19)24(26,27)28/h5-8,10-12,15H,3-4,9,13H2,1-2H3,(H,32,33,35,36).
What are the key properties of 3-[6-[3-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[3-(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-[3-(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 57446885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).