2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane

C26H32F3N5O3 — CID 176975075

IUPAC2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane
SMILESC.CCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C25H28F3N5O3.CH4/c1-3-15(36-16-8-9-17-19(12-16)31-32-22(17)29)10-11-24(2)18-6-4-5-7-20(18)33(23(24)35)13-21(34)30-14-25(26,27)28;/h4-9,12,15H,3,10-11,13-14H2,1-2H3,(H,30,34)(H3,29,31,32);1H4/t15?,24-;/m0./s1
InChIKeyLDGCYQVAVIPGNF-CBFSMOMJSA-N
MW519.57 g/mol
LogP4.70
Rot. Bonds9

About 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane

2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane (PubChem CID 176975075) has the molecular formula C26H32F3N5O3 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane.

Molecular Properties

Compound Name2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane
PubChem CID176975075
Molecular FormulaC26H32F3N5O3
Molecular Weight519.57 g/mol
Exact Mass519.25
IUPAC Name2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane
SMILESC.CCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C25H28F3N5O3.CH4/c1-3-15(36-16-8-9-17-19(12-16)31-32-22(17)29)10-11-24(2)18-6-4-5-7-20(18)33(23(24)35)13-21(34)30-14-25(26,27)28;/h4-9,12,15H,3,10-11,13-14H2,1-2H3,(H,30,34)(H3,29,31,32);1H4/t15?,24-;/m0./s1
InChIKeyLDGCYQVAVIPGNF-CBFSMOMJSA-N
XLogP4.70
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-methyl-3-[3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxy]pentyl]-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975306
2-[(3S)-3-methyl-2-oxo-3-[3-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)pentyl]indol-1-yl]-N-(3-oxabicyclo[3.1.0]hexan-6-yl)acetamide
CID 176975275
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2477643
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 92786478
2-[4'-bromo-4-(1H-indazol-5-yloxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975407
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53057385
ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
(3-amino-1H-indazol-6-yl) N-[(3-chlorophenyl)methyl]carbamate
CID 68886644
2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323517
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane?
The IUPAC name of 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane (CID 176975075) is 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane.
What is the SMILES notation for 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane?
The canonical SMILES for 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane is C.CCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1ccc2c(N)n[nH]c2c1.
What is the InChIKey of 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane?
The InChIKey is LDGCYQVAVIPGNF-CBFSMOMJSA-N. The full InChI is InChI=1S/C25H28F3N5O3.CH4/c1-3-15(36-16-8-9-17-19(12-16)31-32-22(17)29)10-11-24(2)18-6-4-5-7-20(18)33(23(24)35)13-21(34)30-14-25(26,27)28;/h4-9,12,15H,3,10-11,13-14H2,1-2H3,(H,30,34)(H3,29,31,32);1H4/t15?,24-;/m0./s1.
What are the key properties of 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane?
2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane has a molecular weight of 519.57 g/mol, XLogP of 4.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[3-[(3-amino-1H-indazol-6-yl)oxy]pentyl]-3-methyl-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;methane is sourced from PubChem (CID 176975075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).