5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid

C22H29F3N4O3S — CID 155852499

IUPAC5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N4OS.C2HF3O2/c1-14(2)24-12-17-18(21-24)20(13-22(4)19(17)25)7-9-23(10-8-20)11-16-6-5-15(3)26-16;3-2(4,5)1(6)7/h5-6,12,14H,7-11,13H2,1-4H3;(H,6,7)
InChIKeyUZDKCEBDFSZCSS-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.09
Rot. Bonds3

About 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid

5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid (PubChem CID 155852499) has the molecular formula C22H29F3N4O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
PubChem CID155852499
Molecular FormulaC22H29F3N4O3S
Molecular Weight486.56 g/mol
Exact Mass486.19
IUPAC Name5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N4OS.C2HF3O2/c1-14(2)24-12-17-18(21-24)20(13-22(4)19(17)25)7-9-23(10-8-20)11-16-6-5-15(3)26-16;3-2(4,5)1(6)7/h5-6,12,14H,7-11,13H2,1-4H3;(H,6,7)
InChIKeyUZDKCEBDFSZCSS-UHFFFAOYSA-N
XLogP4.09
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155834773
2-ethyl-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155834850
5-methyl-2-(2-methylpropyl)-1'-(pyridin-3-ylmethyl)spiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155840036
3-methyl-9-[(5-methylthiophen-2-yl)methyl]-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155835384
2-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829044
7-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696458
8-[(3-methoxyphenyl)methyl]-2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849573
1'-[(5-methylthiophen-2-yl)methyl]-2-(pyridin-2-ylmethyl)spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazine-8,3'-pyrrolidine]-3,4-dione;bis(2,2,2-trifluoroacetic acid)
CID 155859902
1'-[(4-fluorophenyl)methyl]-2,6-dimethylspiro[7H-pyrido[4,3-d]pyrimidine-8,4'-piperidine]-5-one;2,2,2-trifluoroacetic acid
CID 155839928
1-(cyclopropylmethyl)-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155845145
4-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155837349
2-ethyl-7-(2-methylpropanoyl)-10-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid (CID 155852499) is 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is UZDKCEBDFSZCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.C2HF3O2/c1-14(2)24-12-17-18(21-24)20(13-22(4)19(17)25)7-9-23(10-8-20)11-16-6-5-15(3)26-16;3-2(4,5)1(6)7/h5-6,12,14H,7-11,13H2,1-4H3;(H,6,7).
What are the key properties of 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid?
5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 486.56 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1'-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylspiro[6H-pyrazolo[4,3-c]pyridine-7,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).