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

C26H25N7S — CID 138571494

IUPAC2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cncc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C26H25N7S/c1-18-16-32(19(2)30-18)23-5-4-21-6-9-31(17-22(21)12-23)26-28-15-25(34-26)11-20-10-24(14-27-13-20)33-8-3-7-29-33/h3-5,7-8,10,12-16H,6,9,11,17H2,1-2H3
InChIKeyUQNWUGQMMHYVCY-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.68
Rot. Bonds5

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

2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole (PubChem CID 138571494) has the molecular formula C26H25N7S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole
PubChem CID138571494
Molecular FormulaC26H25N7S
Molecular Weight467.60 g/mol
Exact Mass467.19
IUPAC Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cncc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C26H25N7S/c1-18-16-32(19(2)30-18)23-5-4-21-6-9-31(17-22(21)12-23)26-28-15-25(34-26)11-20-10-24(14-27-13-20)33-8-3-7-29-33/h3-5,7-8,10,12-16H,6,9,11,17H2,1-2H3
InChIKeyUQNWUGQMMHYVCY-UHFFFAOYSA-N
XLogP4.68
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole (CID 138571494) is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole is Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4cncc(-n5cccn5)c4)s2)CC3)c(C)n1.
What is the InChIKey of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole?
The InChIKey is UQNWUGQMMHYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7S/c1-18-16-32(19(2)30-18)23-5-4-21-6-9-31(17-22(21)12-23)26-28-15-25(34-26)11-20-10-24(14-27-13-20)33-8-3-7-29-33/h3-5,7-8,10,12-16H,6,9,11,17H2,1-2H3.
What are the key properties of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole?
2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole has a molecular weight of 467.60 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(5-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole is sourced from PubChem (CID 138571494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).