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

C20H14F6N8 — CID 57446877

IUPAC3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H14F6N8/c1-2-27-15-7-11(20(24,25)26)16(34-33-15)13-9-30-17-12(5-6-28-18(17)32-13)31-14-4-3-10(8-29-14)19(21,22)23/h3-9H,2H2,1H3,(H,27,33)(H,28,29,31,32)
InChIKeyOKANJGJTYQQTNX-UHFFFAOYSA-N
MW480.38 g/mol
LogP5.09
Rot. Bonds5

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

3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446877) has the molecular formula C20H14F6N8 and a molecular weight of 480.38 g/mol. Its IUPAC name is 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446877
Molecular FormulaC20H14F6N8
Molecular Weight480.38 g/mol
Exact Mass480.12
IUPAC Name3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C20H14F6N8/c1-2-27-15-7-11(20(24,25)26)16(34-33-15)13-9-30-17-12(5-6-28-18(17)32-13)31-14-4-3-10(8-29-14)19(21,22)23/h3-9H,2H2,1H3,(H,27,33)(H,28,29,31,32)
InChIKeyOKANJGJTYQQTNX-UHFFFAOYSA-N
XLogP5.09
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446877) is 3-[6-(ethylamino)-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-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is OKANJGJTYQQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N8/c1-2-27-15-7-11(20(24,25)26)16(34-33-15)13-9-30-17-12(5-6-28-18(17)32-13)31-14-4-3-10(8-29-14)19(21,22)23/h3-9H,2H2,1H3,(H,27,33)(H,28,29,31,32).
What are the key properties of 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 480.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).