3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine

C19H17F4N3O — CID 91800726

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(OC2CC(NCc3cccc4cn[nH]c34)C2)cc1C(F)(F)F
InChIInChI=1S/C19H17F4N3O/c20-17-5-4-14(8-16(17)19(21,22)23)27-15-6-13(7-15)24-9-11-2-1-3-12-10-25-26-18(11)12/h1-5,8,10,13,15,24H,6-7,9H2,(H,25,26)
InChIKeyULPRPHUWJUFLKB-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.42
Rot. Bonds5

About 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine

3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine (PubChem CID 91800726) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine
PubChem CID91800726
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(OC2CC(NCc3cccc4cn[nH]c34)C2)cc1C(F)(F)F
InChIInChI=1S/C19H17F4N3O/c20-17-5-4-14(8-16(17)19(21,22)23)27-15-6-13(7-15)24-9-11-2-1-3-12-10-25-26-18(11)12/h1-5,8,10,13,15,24H,6-7,9H2,(H,25,26)
InChIKeyULPRPHUWJUFLKB-UHFFFAOYSA-N
XLogP4.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952
5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole
CID 131953474
5-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-1H-indazole
CID 178309773
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 56817430
N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
CID 71970938
6-(3-ethoxy-2,6-difluorophenyl)-1H-indazole
CID 145950580
5-[(4-Fluorophenyl)methoxy]-1h-indazole
CID 169488861
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 56817429
3-(2-fluoroethoxy)-N-(1H-indazol-7-ylmethyl)aniline
CID 71913358
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-(1H-indazol-7-ylmethyl)methanamine
CID 97590233

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine (CID 91800726) is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine is Fc1ccc(OC2CC(NCc3cccc4cn[nH]c34)C2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine?
The InChIKey is ULPRPHUWJUFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O/c20-17-5-4-14(8-16(17)19(21,22)23)27-15-6-13(7-15)24-9-11-2-1-3-12-10-25-26-18(11)12/h1-5,8,10,13,15,24H,6-7,9H2,(H,25,26).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine?
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine has a molecular weight of 379.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(1H-indazol-7-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 91800726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).