5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole

C23H17F3N6S — CID 150805592

IUPAC5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ncc(-c3ccc4cnn(-c5ccc6c(c5)CNCC6)c4c3)s2)n[nH]1
InChIInChI=1S/C23H17F3N6S/c24-23(25,26)21-9-18(30-31-21)22-28-12-20(33-22)14-1-2-15-11-29-32(19(15)8-14)17-4-3-13-5-6-27-10-16(13)7-17/h1-4,7-9,11-12,27H,5-6,10H2,(H,30,31)
InChIKeyKGUIRKDYMMZTRI-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.20
Rot. Bonds3

About 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole

5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 150805592) has the molecular formula C23H17F3N6S and a molecular weight of 466.49 g/mol. Its IUPAC name is 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID150805592
Molecular FormulaC23H17F3N6S
Molecular Weight466.49 g/mol
Exact Mass466.12
IUPAC Name5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ncc(-c3ccc4cnn(-c5ccc6c(c5)CNCC6)c4c3)s2)n[nH]1
InChIInChI=1S/C23H17F3N6S/c24-23(25,26)21-9-18(30-31-21)22-28-12-20(33-22)14-1-2-15-11-29-32(19(15)8-14)17-4-3-13-5-6-27-10-16(13)7-17/h1-4,7-9,11-12,27H,5-6,10H2,(H,30,31)
InChIKeyKGUIRKDYMMZTRI-UHFFFAOYSA-N
XLogP5.20
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
US11608337, Example 40
CID 132085886
5-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 139545008
2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 164628501
N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532377
N-(3-fluoro-4-(1H-pyrazol-4-yl)phenyl)-2-(2-(thiazol-2-yl)-1H-indol-6-yl)pyrimidin-4-amine
CID 139465591
2-[1-methyl-2-(1,3-thiazol-2-yl)indol-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387451
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 137387738
N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine
CID 44532378
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 44540512
N-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 54590979
(2R)-4-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[6-(trifluoromethyl)pyridin-3-yl]butan-2-amine
CID 57991900

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole (CID 150805592) is 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2ncc(-c3ccc4cnn(-c5ccc6c(c5)CNCC6)c4c3)s2)n[nH]1.
What is the InChIKey of 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is KGUIRKDYMMZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6S/c24-23(25,26)21-9-18(30-31-21)22-28-12-20(33-22)14-1-2-15-11-29-32(19(15)8-14)17-4-3-13-5-6-27-10-16(13)7-17/h1-4,7-9,11-12,27H,5-6,10H2,(H,30,31).
What are the key properties of 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 466.49 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 150805592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).