ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)

C36H39N10O9Y3-3 — CID 159096967

IUPACethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)
SMILESCCO.[CH2-]NC(=O)c1cccn2nc(C(=O)N(C)C)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)O)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)OCC)cc12.[Y].[Y].[Y]
InChIInChI=1S/C12H13N4O2.C12H12N3O3.C10H8N3O3.C2H6O.3Y/c1-13-11(17)8-5-4-6-16-10(8)7-9(14-16)12(18)15(2)3;1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9;1-11-9(14)6-3-2-4-13-8(6)5-7(12-13)10(15)16;1-2-3;;;/h4-7H,1H2,2-3H3,(H,13,17);4-7H,2-3H2,1H3,(H,13,16);2-5H,1H2,(H,11,14)(H,15,16);3H,2H2,1H3;;;/q3*-1;;;;
InChIKeyHEUONHNOVPIJKD-UHFFFAOYSA-N
MW1022.49 g/mol
LogP2.13
Rot. Bonds7

About ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)

ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) (PubChem CID 159096967) has the molecular formula C36H39N10O9Y3-3 and a molecular weight of 1022.49 g/mol. Its IUPAC name is ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium).

Molecular Properties

Compound Nameethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)
PubChem CID159096967
Molecular FormulaC36H39N10O9Y3-3
Molecular Weight1022.49 g/mol
Exact Mass1022.01
IUPAC Nameethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)
SMILESCCO.[CH2-]NC(=O)c1cccn2nc(C(=O)N(C)C)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)O)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)OCC)cc12.[Y].[Y].[Y]
InChIInChI=1S/C12H13N4O2.C12H12N3O3.C10H8N3O3.C2H6O.3Y/c1-13-11(17)8-5-4-6-16-10(8)7-9(14-16)12(18)15(2)3;1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9;1-11-9(14)6-3-2-4-13-8(6)5-7(12-13)10(15)16;1-2-3;;;/h4-7H,1H2,2-3H3,(H,13,17);4-7H,2-3H2,1H3,(H,13,16);2-5H,1H2,(H,11,14)(H,15,16);3H,2H2,1H3;;;/q3*-1;;;;
InChIKeyHEUONHNOVPIJKD-UHFFFAOYSA-N
XLogP2.13
TPSA243.34 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.49
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) with MolForge

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Related Compounds

ethyl 3-(4-fluoro-3-(2-oxo-2-(4-(3-phenyl-1H-pyrazol-4-yl)piperazin-1-yl)acetyl)-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
CID 49770166
ethyl 5-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 89634135
methyl 5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 89634202
5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 89634204
5-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 117772944
ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118150161
Methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 123598083
ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 123964821
Ethyl 5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]pyridine-2-carboxylate;5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]pyridine-2-carboxylic acid
CID 158369296
Ethyl 5-amino-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 165005618
Ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165021546
ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165067037

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)?
The IUPAC name of ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) (CID 159096967) is ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium).
What is the SMILES notation for ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)?
The canonical SMILES for ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) is CCO.[CH2-]NC(=O)c1cccn2nc(C(=O)N(C)C)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)O)cc12.[CH2-]NC(=O)c1cccn2nc(C(=O)OCC)cc12.[Y].[Y].[Y].
What is the InChIKey of ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)?
The InChIKey is HEUONHNOVPIJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N4O2.C12H12N3O3.C10H8N3O3.C2H6O.3Y/c1-13-11(17)8-5-4-6-16-10(8)7-9(14-16)12(18)15(2)3;1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9;1-11-9(14)6-3-2-4-13-8(6)5-7(12-13)10(15)16;1-2-3;;;/h4-7H,1H2,2-3H3,(H,13,17);4-7H,2-3H2,1H3,(H,13,16);2-5H,1H2,(H,11,14)(H,15,16);3H,2H2,1H3;;;/q3*-1;;;;.
What are the key properties of ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)?
ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) has a molecular weight of 1022.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium) is sourced from PubChem (CID 159096967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).