2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

C25H22N6S — CID 138571500

IUPAC2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESc1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(-c6ncc[nH]6)cc5C4)s3)cc2)c1
InChIInChI=1S/C25H22N6S/c1-9-29-31(12-1)22-6-2-18(3-7-22)14-23-16-28-25(32-23)30-13-8-19-4-5-20(15-21(19)17-30)24-26-10-11-27-24/h1-7,9-12,15-16H,8,13-14,17H2,(H,26,27)
InChIKeyAMDLTNSXQCHHPE-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.87
Rot. Bonds5

About 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (PubChem CID 138571500) has the molecular formula C25H22N6S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
PubChem CID138571500
Molecular FormulaC25H22N6S
Molecular Weight438.56 g/mol
Exact Mass438.16
IUPAC Name2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESc1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(-c6ncc[nH]6)cc5C4)s3)cc2)c1
InChIInChI=1S/C25H22N6S/c1-9-29-31(12-1)22-6-2-18(3-7-22)14-23-16-28-25(32-23)30-13-8-19-4-5-20(15-21(19)17-30)24-26-10-11-27-24/h1-7,9-12,15-16H,8,13-14,17H2,(H,26,27)
InChIKeyAMDLTNSXQCHHPE-UHFFFAOYSA-N
XLogP4.87
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole 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 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (CID 138571500) is 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is c1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(-c6ncc[nH]6)cc5C4)s3)cc2)c1.
What is the InChIKey of 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is AMDLTNSXQCHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6S/c1-9-29-31(12-1)22-6-2-18(3-7-22)14-23-16-28-25(32-23)30-13-8-19-4-5-20(15-21(19)17-30)24-26-10-11-27-24/h1-7,9-12,15-16H,8,13-14,17H2,(H,26,27).
What are the key properties of 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 438.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 138571500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).