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

C25H28F3N5O3 — CID 176975306

IUPAC2-[(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
SMILESCCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C25H28F3N5O3/c1-4-16(36-17-11-18-15(2)31-32-22(18)29-12-17)9-10-24(3)19-7-5-6-8-20(19)33(23(24)35)13-21(34)30-14-25(26,27)28/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,30,34)(H,29,31,32)/t16?,24-/m0/s1
InChIKeyOEBPNUQRWXGOKE-ODOSRFNGSA-N
MW503.53 g/mol
LogP4.19
Rot. Bonds9

About 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

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 (PubChem CID 176975306) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID176975306
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC Name2-[(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
SMILESCCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C25H28F3N5O3/c1-4-16(36-17-11-18-15(2)31-32-22(18)29-12-17)9-10-24(3)19-7-5-6-8-20(19)33(23(24)35)13-21(34)30-14-25(26,27)28/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,30,34)(H,29,31,32)/t16?,24-/m0/s1
InChIKeyOEBPNUQRWXGOKE-ODOSRFNGSA-N
XLogP4.19
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 92786478
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
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
N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-[3-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)hexyl]-3H-indol-1-yl]acetamide
CID 176975064
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323517
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC[C@]1(C)C(=O)N(CC(=O)NCC(F)(F)F)c2ccccc21)Oc1cnc2n[nH]c(C)c2c1.
What is the InChIKey of 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?
The InChIKey is OEBPNUQRWXGOKE-ODOSRFNGSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c1-4-16(36-17-11-18-15(2)31-32-22(18)29-12-17)9-10-24(3)19-7-5-6-8-20(19)33(23(24)35)13-21(34)30-14-25(26,27)28/h5-8,11-12,16H,4,9-10,13-14H2,1-3H3,(H,30,34)(H,29,31,32)/t16?,24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 503.53 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176975306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).