1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole

C18H14F3N3O — CID 24982167

IUPAC1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C18H14F3N3O/c1-25-13-5-2-11(3-6-13)16-17-14-7-4-12(18(19,20)21)10-15(14)23-24(17)9-8-22-16/h2-7,10H,8-9H2,1H3
InChIKeyHCRIDWVZPBFJOV-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.91
Rot. Bonds2

About 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole

1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 24982167) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID24982167
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1
InChIInChI=1S/C18H14F3N3O/c1-25-13-5-2-11(3-6-13)16-17-14-7-4-12(18(19,20)21)10-15(14)23-24(17)9-8-22-16/h2-7,10H,8-9H2,1H3
InChIKeyHCRIDWVZPBFJOV-UHFFFAOYSA-N
XLogP3.91
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 24982167) is 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is HCRIDWVZPBFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-25-13-5-2-11(3-6-13)16-17-14-7-4-12(18(19,20)21)10-15(14)23-24(17)9-8-22-16/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 345.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 24982167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).