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

C18H17N3O — CID 25102385

IUPAC8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)CCN=C3c1ccc(C)cc1
InChIInChI=1S/C18H17N3O/c1-12-3-5-13(6-4-12)17-18-15-8-7-14(22-2)11-16(15)20-21(18)10-9-19-17/h3-8,11H,9-10H2,1-2H3
InChIKeyAKHPPDFGSYZSEC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.20
Rot. Bonds2

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

8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 25102385) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID25102385
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)CCN=C3c1ccc(C)cc1
InChIInChI=1S/C18H17N3O/c1-12-3-5-13(6-4-12)17-18-15-8-7-14(22-2)11-16(15)20-21(18)10-9-19-17/h3-8,11H,9-10H2,1-2H3
InChIKeyAKHPPDFGSYZSEC-UHFFFAOYSA-N
XLogP3.20
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2e)-N-Allyl-4-((3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl)Oxy)-N-Methyl-2-Buten-1-Amine
CID 445990
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CID 155531721
4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)indazol-3-amine
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Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 25102385) is 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc2c3n(nc2c1)CCN=C3c1ccc(C)cc1.
What is the InChIKey of 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is AKHPPDFGSYZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-3-5-13(6-4-12)17-18-15-8-7-14(22-2)11-16(15)20-21(18)10-9-19-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 291.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(4-methylphenyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 25102385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).