1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)

C26H25F6N5O5S — CID 171689926

IUPAC1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1N(Cc2cccnc2)c2ccccc2NC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C22H23N5OS.2C2HF3O2/c28-21-22(7-11-26(12-8-22)16-20-24-10-13-29-20)25-18-5-1-2-6-19(18)27(21)15-17-4-3-9-23-14-17;2*3-2(4,5)1(6)7/h1-6,9-10,13-14,25H,7-8,11-12,15-16H2;2*(H,6,7)
InChIKeyRSJLMFWGUNJFOJ-UHFFFAOYSA-N
MW633.57 g/mol
LogP4.80
Rot. Bonds4

About 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)

1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171689926) has the molecular formula C26H25F6N5O5S and a molecular weight of 633.57 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID171689926
Molecular FormulaC26H25F6N5O5S
Molecular Weight633.57 g/mol
Exact Mass633.15
IUPAC Name1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1N(Cc2cccnc2)c2ccccc2NC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C22H23N5OS.2C2HF3O2/c28-21-22(7-11-26(12-8-22)16-20-24-10-13-29-20)25-18-5-1-2-6-19(18)27(21)15-17-4-3-9-23-14-17;2*3-2(4,5)1(6)7/h1-6,9-10,13-14,25H,7-8,11-12,15-16H2;2*(H,6,7)
InChIKeyRSJLMFWGUNJFOJ-UHFFFAOYSA-N
XLogP4.80
TPSA135.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.57
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-(pyridin-4-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155868517
1,1'-bis[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155831463
2-(pyridin-3-ylmethyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155829354
(4S,5S)-4-(pyridin-3-yloxymethyl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155848909
2-ethyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 171697221
1-benzyl-3-(3-pyridin-3-ylpropyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233358
2-[[9-[(3-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155849197
2-[(6-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118745815
3-(pyridin-3-yloxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852908
3-pyridin-4-yl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171706601
9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155854009
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid) (CID 171689926) is 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1N(Cc2cccnc2)c2ccccc2NC12CCN(Cc1nccs1)CC2.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RSJLMFWGUNJFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS.2C2HF3O2/c28-21-22(7-11-26(12-8-22)16-20-24-10-13-29-20)25-18-5-1-2-6-19(18)27(21)15-17-4-3-9-23-14-17;2*3-2(4,5)1(6)7/h1-6,9-10,13-14,25H,7-8,11-12,15-16H2;2*(H,6,7).
What are the key properties of 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)?
1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 633.57 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171689926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).