2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C24H25N3O4 — CID 5308408

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2
InChIInChI=1S/C24H25N3O4/c1-15-19-11-22(30-3)21(29-2)10-16(19)8-9-26(15)23(28)13-27-24-17(12-25-27)14-31-20-7-5-4-6-18(20)24/h4-7,10-12,15H,8-9,13-14H2,1-3H3
InChIKeyIDEQICXOOXTKTQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.61
Rot. Bonds4

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 5308408) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID5308408
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2
InChIInChI=1S/C24H25N3O4/c1-15-19-11-22(30-3)21(29-2)10-16(19)8-9-26(15)23(28)13-27-24-17(12-25-27)14-31-20-7-5-4-6-18(20)24/h4-7,10-12,15H,8-9,13-14H2,1-3H3
InChIKeyIDEQICXOOXTKTQ-UHFFFAOYSA-N
XLogP3.61
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone 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-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 5308408) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is COc1cc2c(cc1OC)C(C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is IDEQICXOOXTKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-19-11-22(30-3)21(29-2)10-16(19)8-9-26(15)23(28)13-27-24-17(12-25-27)14-31-20-7-5-4-6-18(20)24/h4-7,10-12,15H,8-9,13-14H2,1-3H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 419.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 5308408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).