6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C20H11F6N7O2 — CID 58645527

IUPAC6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C20H11F6N7O2/c1-8-2-11(32-14-7-27-13(6-28-14)20(24,25)26)16-17(31-8)33-12(5-30-16)15-10(19(21,22)23)3-9(4-29-15)18(34)35/h2-7H,1H3,(H,34,35)(H,28,31,32,33)
InChIKeyONWUEBULBJFEQH-UHFFFAOYSA-N
MW495.34 g/mol
LogP4.66
Rot. Bonds4

About 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 58645527) has the molecular formula C20H11F6N7O2 and a molecular weight of 495.34 g/mol. Its IUPAC name is 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID58645527
Molecular FormulaC20H11F6N7O2
Molecular Weight495.34 g/mol
Exact Mass495.09
IUPAC Name6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C20H11F6N7O2/c1-8-2-11(32-14-7-27-13(6-28-14)20(24,25)26)16-17(31-8)33-12(5-30-16)15-10(19(21,22)23)3-9(4-29-15)18(34)35/h2-7H,1H3,(H,34,35)(H,28,31,32,33)
InChIKeyONWUEBULBJFEQH-UHFFFAOYSA-N
XLogP4.66
TPSA126.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.34
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 58645527) is 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3C(F)(F)F)nc2n1.
What is the InChIKey of 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ONWUEBULBJFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N7O2/c1-8-2-11(32-14-7-27-13(6-28-14)20(24,25)26)16-17(31-8)33-12(5-30-16)15-10(19(21,22)23)3-9(4-29-15)18(34)35/h2-7H,1H3,(H,34,35)(H,28,31,32,33).
What are the key properties of 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 495.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methyl-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 58645527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).