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

C26H25N7OS — CID 138571583

IUPAC[2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(C(O)c4cncc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C26H25N7OS/c1-17-15-32(18(2)30-17)22-5-4-19-6-9-31(16-21(19)11-22)26-28-14-24(35-26)25(34)20-10-23(13-27-12-20)33-8-3-7-29-33/h3-5,7-8,10-15,25,34H,6,9,16H2,1-2H3
InChIKeyPAMOWZGLYFHZIY-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.17
Rot. Bonds5

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

[2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol (PubChem CID 138571583) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol
PubChem CID138571583
Molecular FormulaC26H25N7OS
Molecular Weight483.60 g/mol
Exact Mass483.18
IUPAC Name[2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol
SMILESCc1cn(-c2ccc3c(c2)CN(c2ncc(C(O)c4cncc(-n5cccn5)c4)s2)CC3)c(C)n1
InChIInChI=1S/C26H25N7OS/c1-17-15-32(18(2)30-17)22-5-4-19-6-9-31(16-21(19)11-22)26-28-14-24(35-26)25(34)20-10-23(13-27-12-20)33-8-3-7-29-33/h3-5,7-8,10-15,25,34H,6,9,16H2,1-2H3
InChIKeyPAMOWZGLYFHZIY-UHFFFAOYSA-N
XLogP4.17
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol 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]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol?
The IUPAC name of [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol (CID 138571583) is [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol?
The canonical SMILES for [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol is Cc1cn(-c2ccc3c(c2)CN(c2ncc(C(O)c4cncc(-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]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol?
The InChIKey is PAMOWZGLYFHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c1-17-15-32(18(2)30-17)22-5-4-19-6-9-31(16-21(19)11-22)26-28-14-24(35-26)25(34)20-10-23(13-27-12-20)33-8-3-7-29-33/h3-5,7-8,10-15,25,34H,6,9,16H2,1-2H3.
What are the key properties of [2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol?
[2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol has a molecular weight of 483.60 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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]-1,3-thiazol-5-yl]-(5-pyrazol-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 138571583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).