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

C20H11F6N7O — CID 46911175

IUPAC5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
InChIKeyYPYYPOYQUMYMKR-UHFFFAOYSA-N
MW479.34 g/mol
LogP4.36
Rot. Bonds4

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

5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide (PubChem CID 46911175) has the molecular formula C20H11F6N7O and a molecular weight of 479.34 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide
PubChem CID46911175
Molecular FormulaC20H11F6N7O
Molecular Weight479.34 g/mol
Exact Mass479.09
IUPAC Name5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
InChIKeyYPYYPOYQUMYMKR-UHFFFAOYSA-N
XLogP4.36
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]pyridine-3-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide (CID 46911175) is 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide is NC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide?
The InChIKey is YPYYPOYQUMYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33).
What are the key properties of 5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide?
5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyridine-3-carboxamide is sourced from PubChem (CID 46911175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).