3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

C22H23N3O3 — CID 17035497

IUPAC3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)C3)cc1
InChIInChI=1S/C22H23N3O3/c1-14-12-19-21(20(26)13-14)22(23-15-4-8-17(27-2)9-5-15)24-25(19)16-6-10-18(28-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyFSFDCFULAHJEHO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.40
Rot. Bonds5

About 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 17035497) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID17035497
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)C3)cc1
InChIInChI=1S/C22H23N3O3/c1-14-12-19-21(20(26)13-14)22(23-15-4-8-17(27-2)9-5-15)24-25(19)16-6-10-18(28-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,23,24)
InChIKeyFSFDCFULAHJEHO-UHFFFAOYSA-N
XLogP4.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-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 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 17035497) is 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is COc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)C3)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is FSFDCFULAHJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-12-19-21(20(26)13-14)22(23-15-4-8-17(27-2)9-5-15)24-25(19)16-6-10-18(28-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17035497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).