2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline

C21H25N3O2S — CID 67142218

IUPAC2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCCn1c(C)c(S(C)=O)c2ccnc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C21H25N3O2S/c1-15-20(27(3)25)18-8-10-22-21(19(18)24(15)12-13-26-2)23-11-9-16-6-4-5-7-17(16)14-23/h4-8,10H,9,11-14H2,1-3H3
InChIKeyNPRDMNWLYJNPJB-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.29
Rot. Bonds5

About 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline

2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 67142218) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID67142218
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCCn1c(C)c(S(C)=O)c2ccnc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C21H25N3O2S/c1-15-20(27(3)25)18-8-10-22-21(19(18)24(15)12-13-26-2)23-11-9-16-6-4-5-7-17(16)14-23/h4-8,10H,9,11-14H2,1-3H3
InChIKeyNPRDMNWLYJNPJB-UHFFFAOYSA-N
XLogP3.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline 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

2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142273
7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142551
2-[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 11682228
2-[1-(cyclopropylmethyl)-2-methyl-3-methylsulfonylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67142209
2-(1-benzyl-2-methyl-3-methylsulfanylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 67142148
7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 142681075
2-(1-benzyl-2-methyl-3-methylsulfanylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67143520
2-[2,3-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67142140
2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142937
2-[3-bromo-1-[(3-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67142075
2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 11603087
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline (CID 67142218) is 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline is COCCn1c(C)c(S(C)=O)c2ccnc(N3CCc4ccccc4C3)c21.
What is the InChIKey of 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is NPRDMNWLYJNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-20(27(3)25)18-8-10-22-21(19(18)24(15)12-13-26-2)23-11-9-16-6-4-5-7-17(16)14-23/h4-8,10H,9,11-14H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline?
2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 383.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-2-methyl-3-methylsulfinylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 67142218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).