6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C20H12F6N8O2 — CID 58645504

About 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58645504) has the molecular formula C20H12F6N8O2 and a molecular weight of 510.36 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 58645504
• Molecular Formula: C20H12F6N8O2
• Molecular Weight: 510.36 g/mol
• Exact Mass: 510.10
• IUPAC Name: 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: NC(=O)c1cnc(-c2cnc3c(Nc4cnc(C(F)(F)F)cn4)cc(CO)nc3n2)c(C(F)(F)F)c1
• InChI: InChI=1S/C20H12F6N8O2/c21-19(22,23)10-1-8(17(27)36)3-30-15(10)12-4-31-16-11(2-9(7-35)32-18(16)34-12)33-14-6-28-13(5-29-14)20(24,25)26/h1-6,35H,7H2,(H2,27,36)(H,29,32,33,34)
• InChIKey: ZELPIMDEDOZGNF-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 152.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.36
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 58645504) is 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1cnc(-c2cnc3c(Nc4cnc(C(F)(F)F)cn4)cc(CO)nc3n2)c(C(F)(F)F)c1.

What is the InChIKey of 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is ZELPIMDEDOZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N8O2/c21-19(22,23)10-1-8(17(27)36)3-30-15(10)12-4-31-16-11(2-9(7-35)32-18(16)34-12)33-14-6-28-13(5-29-14)20(24,25)26/h1-6,35H,7H2,(H2,27,36)(H,29,32,33,34).

What are the key properties of 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 510.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(hydroxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58645504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).