N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide

C22H20F3N5O3 — CID 176975260

IUPACN-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21
InChIInChI=1S/C22H20F3N5O3/c1-29(12-22(23,24)25)19(31)11-30-17-5-3-2-4-14(17)21(20(30)32)8-13(9-21)33-18-7-6-15-16(27-18)10-26-28-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,28)
InChIKeyCOFAGXMSSFOSOD-UHFFFAOYSA-N
MW459.43 g/mol
LogP2.80
Rot. Bonds5

About N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 176975260) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID176975260
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC NameN-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21
InChIInChI=1S/C22H20F3N5O3/c1-29(12-22(23,24)25)19(31)11-30-17-5-3-2-4-14(17)21(20(30)32)8-13(9-21)33-18-7-6-15-16(27-18)10-26-28-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,28)
InChIKeyCOFAGXMSSFOSOD-UHFFFAOYSA-N
XLogP2.80
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetyl]morpholine-3-carbonitrile
CID 176975221
N-(2,2-difluoroethyl)-2-[4'-fluoro-2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]acetamide
CID 176975180
4'-fluoro-1'-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)-2-oxoethyl]-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one
CID 176975548
4-[2-[1-acetyl-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)cyclobutyl]phenyl]butan-2-one;1,1,1-trifluoro-3-methyl-2-propoxybutane
CID 176975599
N-(cyclopropylmethyl)-2-(3,3-dimethyl-2-oxoindol-1-yl)-N-methylacetamide
CID 95748634
1-[[4-[2-[1-acetyl-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)cyclobutyl]phenyl]-1-oxobut-1-en-2-yl]amino]cyclopropane-1-carbonitrile
CID 176975426
8-[2-[(2R)-2-[difluoro-(methylidene-λ3-iodanyl)methyl]piperazin-1-yl]-2-oxoethyl]-4-fluoro-3'-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[7H-benzo[7]annulene-5,1'-cyclobutane]-6-one
CID 176975580
tert-butyl N-[3,3-difluoro-1-[[[2-[2'-oxo-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-indole]-1'-yl]acetyl]amino]methyl]cyclobutyl]carbamate
CID 176975078
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
1'-[2-[(2S)-2-tert-butylpyrrolidin-1-yl]-2-oxoethyl]-3-(1-tritylpyrazolo[4,5-b]pyridin-5-yl)oxyspiro[cyclobutane-1,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 176975389
1'-[2-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2-oxoethyl]-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-indole]-2'-one
CID 176975603

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 176975260) is N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1C(=O)C2(CC(Oc3ccc4[nH]ncc4n3)C2)c2ccccc21.
What is the InChIKey of N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is COFAGXMSSFOSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-29(12-22(23,24)25)19(31)11-30-17-5-3-2-4-14(17)21(20(30)32)8-13(9-21)33-18-7-6-15-16(27-18)10-26-28-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,28).
What are the key properties of N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 459.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2'-oxo-3-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)spiro[cyclobutane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 176975260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).