6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one

C22H15F3N6OS — CID 67467282

IUPAC6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3cc4cn[nH]c4cc3N3C=CSC3c3cc(C(F)(F)F)n[nH]3)cc21
InChIInChI=1S/C22H15F3N6OS/c23-22(24,25)19-8-17(29-30-19)21-31(3-4-33-21)18-7-16-13(10-27-28-16)6-14(18)11-1-2-12-9-26-20(32)15(12)5-11/h1-8,10,21H,9H2,(H,26,32)(H,27,28)(H,29,30)
InChIKeyCWZYDNDSUGRXJJ-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.94
Rot. Bonds3

About 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one

6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 67467282) has the molecular formula C22H15F3N6OS and a molecular weight of 468.46 g/mol. Its IUPAC name is 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID67467282
Molecular FormulaC22H15F3N6OS
Molecular Weight468.46 g/mol
Exact Mass468.10
IUPAC Name6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3cc4cn[nH]c4cc3N3C=CSC3c3cc(C(F)(F)F)n[nH]3)cc21
InChIInChI=1S/C22H15F3N6OS/c23-22(24,25)19-8-17(29-30-19)21-31(3-4-33-21)18-7-16-13(10-27-28-16)6-14(18)11-1-2-12-9-26-20(32)15(12)5-11/h1-8,10,21H,9H2,(H,26,32)(H,27,28)(H,29,30)
InChIKeyCWZYDNDSUGRXJJ-UHFFFAOYSA-N
XLogP4.94
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one (CID 67467282) is 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(-c3cc4cn[nH]c4cc3N3C=CSC3c3cc(C(F)(F)F)n[nH]3)cc21.
What is the InChIKey of 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is CWZYDNDSUGRXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6OS/c23-22(24,25)19-8-17(29-30-19)21-31(3-4-33-21)18-7-16-13(10-27-28-16)6-14(18)11-1-2-12-9-26-20(32)15(12)5-11/h1-8,10,21H,9H2,(H,26,32)(H,27,28)(H,29,30).
What are the key properties of 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one?
6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 468.46 g/mol, XLogP of 4.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2H-1,3-thiazol-3-yl]-1H-indazol-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 67467282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).