3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C20H11F9N8 — CID 58645503

IUPAC3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)CNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H11F9N8/c21-18(22,23)8-33-14-5-10(20(27,28)29)15(37-36-14)12-7-32-16-11(3-4-30-17(16)35-12)34-13-2-1-9(6-31-13)19(24,25)26/h1-7H,8H2,(H,33,36)(H,30,31,34,35)
InChIKeyCWFBDZXFLHPBMX-UHFFFAOYSA-N
MW534.35 g/mol
LogP5.63
Rot. Bonds5

About 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645503) has the molecular formula C20H11F9N8 and a molecular weight of 534.35 g/mol. Its IUPAC name is 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645503
Molecular FormulaC20H11F9N8
Molecular Weight534.35 g/mol
Exact Mass534.10
IUPAC Name3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)CNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H11F9N8/c21-18(22,23)8-33-14-5-10(20(27,28)29)15(37-36-14)12-7-32-16-11(3-4-30-17(16)35-12)34-13-2-1-9(6-31-13)19(24,25)26/h1-7H,8H2,(H,33,36)(H,30,31,34,35)
InChIKeyCWFBDZXFLHPBMX-UHFFFAOYSA-N
XLogP5.63
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.35
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645503) is 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is FC(F)(F)CNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is CWFBDZXFLHPBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F9N8/c21-18(22,23)8-33-14-5-10(20(27,28)29)15(37-36-14)12-7-32-16-11(3-4-30-17(16)35-12)34-13-2-1-9(6-31-13)19(24,25)26/h1-7H,8H2,(H,33,36)(H,30,31,34,35).
What are the key properties of 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 534.35 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).