2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide

C20H13F6N9O — CID 87303490

IUPAC2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
SMILESNC(=O)C(N)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H13F6N9O/c21-19(22,23)8-1-2-13(30-6-8)32-10-3-4-29-18-16(10)31-7-12(33-18)15-9(20(24,25)26)5-11(34-35-15)14(27)17(28)36/h1-7,14H,27H2,(H2,28,36)(H,29,30,32,33)
InChIKeyVVHOUEUNCUYZGV-UHFFFAOYSA-N
MW509.37 g/mol
LogP3.14
Rot. Bonds5

About 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide

2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide (PubChem CID 87303490) has the molecular formula C20H13F6N9O and a molecular weight of 509.37 g/mol. Its IUPAC name is 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
PubChem CID87303490
Molecular FormulaC20H13F6N9O
Molecular Weight509.37 g/mol
Exact Mass509.11
IUPAC Name2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
SMILESNC(=O)C(N)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H13F6N9O/c21-19(22,23)8-1-2-13(30-6-8)32-10-3-4-29-18-16(10)31-7-12(33-18)15-9(20(24,25)26)5-11(34-35-15)14(27)17(28)36/h1-7,14H,27H2,(H2,28,36)(H,29,30,32,33)
InChIKeyVVHOUEUNCUYZGV-UHFFFAOYSA-N
XLogP3.14
TPSA158.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide (CID 87303490) is 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide is NC(=O)C(N)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide?
The InChIKey is VVHOUEUNCUYZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N9O/c21-19(22,23)8-1-2-13(30-6-8)32-10-3-4-29-18-16(10)31-7-12(33-18)15-9(20(24,25)26)5-11(34-35-15)14(27)17(28)36/h1-7,14H,27H2,(H2,28,36)(H,29,30,32,33).
What are the key properties of 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide?
2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide has a molecular weight of 509.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 87303490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).