2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C18H18FN3O2 — CID 91890166

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCOc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1F
InChIInChI=1S/C18H18FN3O2/c1-24-16-7-6-12(10-14(16)19)11-21-8-9-22-17(18(21)23)13-4-2-3-5-15(13)20-22/h6-10H,2-5,11H2,1H3
InChIKeyOZRBWVFPJSWFAJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.57
Rot. Bonds3

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91890166) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91890166
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCOc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1F
InChIInChI=1S/C18H18FN3O2/c1-24-16-7-6-12(10-14(16)19)11-21-8-9-22-17(18(21)23)13-4-2-3-5-15(13)20-22/h6-10H,2-5,11H2,1H3
InChIKeyOZRBWVFPJSWFAJ-UHFFFAOYSA-N
XLogP2.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91890166) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is COc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is OZRBWVFPJSWFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-24-16-7-6-12(10-14(16)19)11-21-8-9-22-17(18(21)23)13-4-2-3-5-15(13)20-22/h6-10H,2-5,11H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 327.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91890166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).