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

C21H22N4OS — CID 58540640

IUPAC2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCC(C)Cc1cc(OCc2ccccn2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C21H22N4OS/c1-14(2)9-15-10-17-18(12-20-23-7-8-27-20)24-25-21(17)19(11-15)26-13-16-5-3-4-6-22-16/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,25)
InChIKeyAEPGBLYFDFJURO-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.78
Rot. Bonds7

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

2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole (PubChem CID 58540640) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole
PubChem CID58540640
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCC(C)Cc1cc(OCc2ccccn2)c2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C21H22N4OS/c1-14(2)9-15-10-17-18(12-20-23-7-8-27-20)24-25-21(17)19(11-15)26-13-16-5-3-4-6-22-16/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,25)
InChIKeyAEPGBLYFDFJURO-UHFFFAOYSA-N
XLogP4.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(dimethylamino)methyl]-N-[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-1H-indazol-3-yl]-1,3-thiazol-2-amine;trihydrochloride
CID 159231770
2-amino-5-(2-methylpropyl)-3-(1,3-thiazol-2-ylmethoxy)benzonitrile
CID 58540922
[3-(pyridin-2-ylmethoxy)thiophen-2-yl]methanamine
CID 39202938
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
N-[[4-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55902386
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole (CID 58540640) is 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole is CC(C)Cc1cc(OCc2ccccn2)c2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole?
The InChIKey is AEPGBLYFDFJURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14(2)9-15-10-17-18(12-20-23-7-8-27-20)24-25-21(17)19(11-15)26-13-16-5-3-4-6-22-16/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole?
2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole has a molecular weight of 378.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylpropyl)-7-(pyridin-2-ylmethoxy)-2H-indazol-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 58540640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).