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

C19H9F6N7O2 — CID 57446867

IUPAC5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C19H9F6N7O2/c20-18(21,22)8-1-2-13(27-6-8)29-10-3-4-26-16-15(10)28-7-12(30-16)14-9(19(23,24)25)5-11(17(33)34)31-32-14/h1-7H,(H,33,34)(H,26,27,29,30)
InChIKeyPUFSMGPLHVJTAN-UHFFFAOYSA-N
MW481.32 g/mol
LogP4.36
Rot. Bonds4

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

5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid (PubChem CID 57446867) has the molecular formula C19H9F6N7O2 and a molecular weight of 481.32 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid
PubChem CID57446867
Molecular FormulaC19H9F6N7O2
Molecular Weight481.32 g/mol
Exact Mass481.07
IUPAC Name5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C19H9F6N7O2/c20-18(21,22)8-1-2-13(27-6-8)29-10-3-4-26-16-15(10)28-7-12(30-16)14-9(19(23,24)25)5-11(17(33)34)31-32-14/h1-7H,(H,33,34)(H,26,27,29,30)
InChIKeyPUFSMGPLHVJTAN-UHFFFAOYSA-N
XLogP4.36
TPSA126.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid (CID 57446867) is 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid?
The InChIKey is PUFSMGPLHVJTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F6N7O2/c20-18(21,22)8-1-2-13(27-6-8)29-10-3-4-26-16-15(10)28-7-12(30-16)14-9(19(23,24)25)5-11(17(33)34)31-32-14/h1-7H,(H,33,34)(H,26,27,29,30).
What are the key properties of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid?
5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid has a molecular weight of 481.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 57446867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).