7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine

C35H34FN3O2S — CID 169135962

IUPAC7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
SMILESCOCCOc1cc(F)ccc1-c1c(-c2ccc3c(c2)CCN(C)C3)nc(-c2ccc3c(c2)CCNC3)c2ccsc12
InChIInChI=1S/C35H34FN3O2S/c1-39-13-10-23-18-25(4-6-27(23)21-39)34-32(29-8-7-28(36)19-31(29)41-15-14-40-2)35-30(11-16-42-35)33(38-34)24-3-5-26-20-37-12-9-22(26)17-24/h3-8,11,16-19,37H,9-10,12-15,20-21H2,1-2H3
InChIKeyLTEQYSVCAHVRKB-UHFFFAOYSA-N
MW579.74 g/mol
LogP7.10
Rot. Bonds7

About 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine

7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine (PubChem CID 169135962) has the molecular formula C35H34FN3O2S and a molecular weight of 579.74 g/mol. Its IUPAC name is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
PubChem CID169135962
Molecular FormulaC35H34FN3O2S
Molecular Weight579.74 g/mol
Exact Mass579.24
IUPAC Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
SMILESCOCCOc1cc(F)ccc1-c1c(-c2ccc3c(c2)CCN(C)C3)nc(-c2ccc3c(c2)CCNC3)c2ccsc12
InChIInChI=1S/C35H34FN3O2S/c1-39-13-10-23-18-25(4-6-27(23)21-39)34-32(29-8-7-28(36)19-31(29)41-15-14-40-2)35-30(11-16-42-35)33(38-34)24-3-5-26-20-37-12-9-22(26)17-24/h3-8,11,16-19,37H,9-10,12-15,20-21H2,1-2H3
InChIKeyLTEQYSVCAHVRKB-UHFFFAOYSA-N
XLogP7.10
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine 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 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The IUPAC name of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine (CID 169135962) is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine is COCCOc1cc(F)ccc1-c1c(-c2ccc3c(c2)CCN(C)C3)nc(-c2ccc3c(c2)CCNC3)c2ccsc12.
What is the InChIKey of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The InChIKey is LTEQYSVCAHVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN3O2S/c1-39-13-10-23-18-25(4-6-27(23)21-39)34-32(29-8-7-28(36)19-31(29)41-15-14-40-2)35-30(11-16-42-35)33(38-34)24-3-5-26-20-37-12-9-22(26)17-24/h3-8,11,16-19,37H,9-10,12-15,20-21H2,1-2H3.
What are the key properties of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine has a molecular weight of 579.74 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 169135962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).