2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole

C22H22FN3OS — CID 58540894

IUPAC2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCC(C)Cc1cc(OCc2ccccc2F)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C22H22FN3OS/c1-14(2)9-15-10-17-19(12-21-24-7-8-28-21)25-26-22(17)20(11-15)27-13-16-5-3-4-6-18(16)23/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,26)
InChIKeyAMBYMURUEHOSNN-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.53
Rot. Bonds7

About 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole

2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole (PubChem CID 58540894) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
PubChem CID58540894
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCC(C)Cc1cc(OCc2ccccc2F)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C22H22FN3OS/c1-14(2)9-15-10-17-19(12-21-24-7-8-28-21)25-26-22(17)20(11-15)27-13-16-5-3-4-6-18(16)23/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,26)
InChIKeyAMBYMURUEHOSNN-UHFFFAOYSA-N
XLogP5.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole (CID 58540894) is 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole is CC(C)Cc1cc(OCc2ccccc2F)c2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The InChIKey is AMBYMURUEHOSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c1-14(2)9-15-10-17-19(12-21-24-7-8-28-21)25-26-22(17)20(11-15)27-13-16-5-3-4-6-18(16)23/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,26).
What are the key properties of 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole?
2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole has a molecular weight of 395.50 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2-fluorophenyl)methoxy]-5-(2-methylpropyl)-2H-indazol-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 58540894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).