3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone

C24H26N4OS — CID 75118313

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C3CC(C(=O)N4CCc5ccccc5C4)NN3)s2)cc1
InChIInChI=1S/C24H26N4OS/c1-15-7-9-18(10-8-15)23-25-16(2)22(30-23)20-13-21(27-26-20)24(29)28-12-11-17-5-3-4-6-19(17)14-28/h3-10,20-21,26-27H,11-14H2,1-2H3
InChIKeyKXALQOWCEMZPGN-UHFFFAOYSA-N
MW418.57 g/mol
LogP3.92
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone (PubChem CID 75118313) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
PubChem CID75118313
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C3CC(C(=O)N4CCc5ccccc5C4)NN3)s2)cc1
InChIInChI=1S/C24H26N4OS/c1-15-7-9-18(10-8-15)23-25-16(2)22(30-23)20-13-21(27-26-20)24(29)28-12-11-17-5-3-4-6-19(17)14-28/h3-10,20-21,26-27H,11-14H2,1-2H3
InChIKeyKXALQOWCEMZPGN-UHFFFAOYSA-N
XLogP3.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 75605811
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
CID 110648378
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
2,3-dihydroindol-1-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487364
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86938825
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenylpyrazolidin-3-yl)methanone
CID 78640436
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 7627258
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 171141797

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone (CID 75118313) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone is Cc1ccc(-c2nc(C)c(C3CC(C(=O)N4CCc5ccccc5C4)NN3)s2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The InChIKey is KXALQOWCEMZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-15-7-9-18(10-8-15)23-25-16(2)22(30-23)20-13-21(27-26-20)24(29)28-12-11-17-5-3-4-6-19(17)14-28/h3-10,20-21,26-27H,11-14H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone has a molecular weight of 418.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75118313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).