7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine

C24H22FN3O2S — CID 176700656

IUPAC7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine
SMILESCOCCOc1cc(F)ccc1-c1nnc(-c2ccc3c(c2)CCNC3)c2ccsc12
InChIInChI=1S/C24H22FN3O2S/c1-29-9-10-30-21-13-18(25)4-5-19(21)23-24-20(7-11-31-24)22(27-28-23)16-2-3-17-14-26-8-6-15(17)12-16/h2-5,7,11-13,26H,6,8-10,14H2,1H3
InChIKeyXOLFOYFJNSHHEB-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.84
Rot. Bonds6

About 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine

7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine (PubChem CID 176700656) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine
PubChem CID176700656
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine
SMILESCOCCOc1cc(F)ccc1-c1nnc(-c2ccc3c(c2)CCNC3)c2ccsc12
InChIInChI=1S/C24H22FN3O2S/c1-29-9-10-30-21-13-18(25)4-5-19(21)23-24-20(7-11-31-24)22(27-28-23)16-2-3-17-14-26-8-6-15(17)12-16/h2-5,7,11-13,26H,6,8-10,14H2,1H3
InChIKeyXOLFOYFJNSHHEB-UHFFFAOYSA-N
XLogP4.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]methyl]prop-2-enamide
CID 169135245
6-[1-(2,2-Dimethylpropyl)pyrazol-4-yl]-7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
CID 169135462
N-[2-[3-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]ethyl]prop-2-enamide
CID 169135576
N-[[3-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]methyl]-2-methylpropanamide
CID 169135727
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
N-[[3-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 169136085
3-[7-[4-Fluoro-2-(2-methoxyethoxy)phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]benzonitrile
CID 169136107
[3-[7-[4-Fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]methanamine
CID 169136206
N-[[3-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]phenyl]methyl]propanamide
CID 169136333
7-[4-Fluoro-2-(2-methoxyethoxy)phenyl]-6-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
CID 169134498
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
CID 169134542
[7-[2,4-Difluoro-6-(2-methoxyethoxy)phenyl]-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)thieno[3,2-c]pyridin-4-yl] trifluoromethanesulfonate
CID 172557588

Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine (CID 176700656) is 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine is COCCOc1cc(F)ccc1-c1nnc(-c2ccc3c(c2)CCNC3)c2ccsc12.
What is the InChIKey of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine?
The InChIKey is XOLFOYFJNSHHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-29-9-10-30-21-13-18(25)4-5-19(21)23-24-20(7-11-31-24)22(27-28-23)16-2-3-17-14-26-8-6-15(17)12-16/h2-5,7,11-13,26H,6,8-10,14H2,1H3.
What are the key properties of 7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine?
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine has a molecular weight of 435.52 g/mol, XLogP of 4.84, 6 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]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 176700656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).