1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole

C17H14ClN3O — CID 25102508

IUPAC1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-13-6-7-14-15(10-13)20-21-9-8-19-16(17(14)21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyXAAOLCBPKCORTA-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.55
Rot. Bonds2

About 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole

1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 25102508) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID25102508
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c1-22-13-6-7-14-15(10-13)20-21-9-8-19-16(17(14)21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyXAAOLCBPKCORTA-UHFFFAOYSA-N
XLogP3.55
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole (CID 25102508) is 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is XAAOLCBPKCORTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-22-13-6-7-14-15(10-13)20-21-9-8-19-16(17(14)21)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 311.77 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 25102508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).