(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C22H24N4O3 — CID 38027002

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cnn1-c1ccccn1
InChIInChI=1S/C22H24N4O3/c1-4-18-17(13-24-26(18)21-7-5-6-9-23-21)22(27)25-10-8-15-11-19(28-2)20(29-3)12-16(15)14-25/h5-7,9,11-13H,4,8,10,14H2,1-3H3
InChIKeyUDHINHLVRQSUNK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.05
Rot. Bonds5

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 38027002) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID38027002
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cnn1-c1ccccn1
InChIInChI=1S/C22H24N4O3/c1-4-18-17(13-24-26(18)21-7-5-6-9-23-21)22(27)25-10-8-15-11-19(28-2)20(29-3)12-16(15)14-25/h5-7,9,11-13H,4,8,10,14H2,1-3H3
InChIKeyUDHINHLVRQSUNK-UHFFFAOYSA-N
XLogP3.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-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)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 38446939
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 38446595
[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55650522
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541772
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 50965530
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 38027002) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone is CCc1c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cnn1-c1ccccn1.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is UDHINHLVRQSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-18-17(13-24-26(18)21-7-5-6-9-23-21)22(27)25-10-8-15-11-19(28-2)20(29-3)12-16(15)14-25/h5-7,9,11-13H,4,8,10,14H2,1-3H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.05, 5 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)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 38027002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).