(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone

C19H20N4O3 — CID 138807154

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(C)nn3ncccc13)CC2
InChIInChI=1S/C19H20N4O3/c1-12-18(15-5-4-7-20-23(15)21-12)19(24)22-8-6-13-9-16(25-2)17(26-3)10-14(13)11-22/h4-5,7,9-10H,6,8,11H2,1-3H3
InChIKeyNCPGDQRBGSINJO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.25
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone (PubChem CID 138807154) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
PubChem CID138807154
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(C)nn3ncccc13)CC2
InChIInChI=1S/C19H20N4O3/c1-12-18(15-5-4-7-20-23(15)21-12)19(24)22-8-6-13-9-16(25-2)17(26-3)10-14(13)11-22/h4-5,7,9-10H,6,8,11H2,1-3H3
InChIKeyNCPGDQRBGSINJO-UHFFFAOYSA-N
XLogP2.25
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 84544905
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 38446595
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
[3-(2,4-dihydroxyphenyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 143936861
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(furan-2-yl)-3-methyl-1,2-oxazol-4-yl]methanone
CID 46096954
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
CID 110855295
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylthiophen-2-yl)methanone
CID 110855245
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 38446939

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone (CID 138807154) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn3ncccc13)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
The InChIKey is NCPGDQRBGSINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-18(15-5-4-7-20-23(15)21-12)19(24)22-8-6-13-9-16(25-2)17(26-3)10-14(13)11-22/h4-5,7,9-10H,6,8,11H2,1-3H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)methanone is sourced from PubChem (CID 138807154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).