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

C20H13F6N7O — CID 59762759

IUPAC6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3nnccc3C(F)(F)F)nc2n1
InChIInChI=1S/C20H13F6N7O/c1-34-9-11-6-13(31-15-3-2-10(7-27-15)19(21,22)23)17-18(30-11)32-14(8-28-17)16-12(20(24,25)26)4-5-29-33-16/h2-8H,9H2,1H3,(H,27,30,31,32)
InChIKeyLFOJRDHJOBXKMP-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.80
Rot. Bonds5

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

6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 59762759) has the molecular formula C20H13F6N7O and a molecular weight of 481.36 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID59762759
Molecular FormulaC20H13F6N7O
Molecular Weight481.36 g/mol
Exact Mass481.11
IUPAC Name6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3nnccc3C(F)(F)F)nc2n1
InChIInChI=1S/C20H13F6N7O/c1-34-9-11-6-13(31-15-3-2-10(7-27-15)19(21,22)23)17-18(30-11)32-14(8-28-17)16-12(20(24,25)26)4-5-29-33-16/h2-8H,9H2,1H3,(H,27,30,31,32)
InChIKeyLFOJRDHJOBXKMP-UHFFFAOYSA-N
XLogP4.80
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 59762759) is 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is COCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3nnccc3C(F)(F)F)nc2n1.
What is the InChIKey of 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is LFOJRDHJOBXKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N7O/c1-34-9-11-6-13(31-15-3-2-10(7-27-15)19(21,22)23)17-18(30-11)32-14(8-28-17)16-12(20(24,25)26)4-5-29-33-16/h2-8H,9H2,1H3,(H,27,30,31,32).
What are the key properties of 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 481.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 59762759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).