2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide

C25H30N8O2 — CID 172636813

IUPAC2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCC(c1ccc2nccnc2c1)N1C[C@H](C)N(c2cc(=O)n(C)c3cn(CC(N)=O)nc23)C[C@H]1C
InChIInChI=1S/C25H30N8O2/c1-15-12-33(21-10-24(35)30(4)22-13-31(14-23(26)34)29-25(21)22)16(2)11-32(15)17(3)18-5-6-19-20(9-18)28-8-7-27-19/h5-10,13,15-17H,11-12,14H2,1-4H3,(H2,26,34)/t15-,16+,17?/m1/s1
InChIKeyWTANOOGUTKPZBZ-GARXDOFDSA-N
MW474.57 g/mol
LogP1.82
Rot. Bonds5

About 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide

2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide (PubChem CID 172636813) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide
PubChem CID172636813
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCC(c1ccc2nccnc2c1)N1C[C@H](C)N(c2cc(=O)n(C)c3cn(CC(N)=O)nc23)C[C@H]1C
InChIInChI=1S/C25H30N8O2/c1-15-12-33(21-10-24(35)30(4)22-13-31(14-23(26)34)29-25(21)22)16(2)11-32(15)17(3)18-5-6-19-20(9-18)28-8-7-27-19/h5-10,13,15-17H,11-12,14H2,1-4H3,(H2,26,34)/t15-,16+,17?/m1/s1
InChIKeyWTANOOGUTKPZBZ-GARXDOFDSA-N
XLogP1.82
TPSA115.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide with MolForge

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
CID 44512934
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CID 102594000
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 134146119
[3-(1,3-Dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300400
6-(3-Aminophenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168270656
N-(3-Methylphenyl)-2-{3-phenyl-1H-pyrazolo[4,3-C]quinolin-1-YL}acetamide
CID 16027217
2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
CID 54578934
3-[[2-[3-(6-Methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetyl]amino]benzamide
CID 54578936
2-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-N-phenylacetamide
CID 54580506
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide
CID 54769998
2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
CID 54770206
N-(3-cyanophenyl)-2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]acetamide
CID 54770208

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide (CID 172636813) is 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide is CC(c1ccc2nccnc2c1)N1C[C@H](C)N(c2cc(=O)n(C)c3cn(CC(N)=O)nc23)C[C@H]1C.
What is the InChIKey of 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide?
The InChIKey is WTANOOGUTKPZBZ-GARXDOFDSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-15-12-33(21-10-24(35)30(4)22-13-31(14-23(26)34)29-25(21)22)16(2)11-32(15)17(3)18-5-6-19-20(9-18)28-8-7-27-19/h5-10,13,15-17H,11-12,14H2,1-4H3,(H2,26,34)/t15-,16+,17?/m1/s1.
What are the key properties of 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide?
2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide has a molecular weight of 474.57 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2S,5R)-2,5-dimethyl-4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 172636813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).