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

C18H17N3O2 — CID 25102387

IUPAC8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc(OC)ccc4c32)cc1
InChIInChI=1S/C18H17N3O2/c1-22-13-5-3-12(4-6-13)17-18-15-8-7-14(23-2)11-16(15)20-21(18)10-9-19-17/h3-8,11H,9-10H2,1-2H3
InChIKeyBEGYHNHDFSLQIM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.90
Rot. Bonds3

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

8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 25102387) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID25102387
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc(OC)ccc4c32)cc1
InChIInChI=1S/C18H17N3O2/c1-22-13-5-3-12(4-6-13)17-18-15-8-7-14(23-2)11-16(15)20-21(18)10-9-19-17/h3-8,11H,9-10H2,1-2H3
InChIKeyBEGYHNHDFSLQIM-UHFFFAOYSA-N
XLogP2.90
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 25102387) is 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc(C2=NCCn3nc4cc(OC)ccc4c32)cc1.
What is the InChIKey of 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is BEGYHNHDFSLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-13-5-3-12(4-6-13)17-18-15-8-7-14(23-2)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-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 307.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 25102387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).