methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium

C43H50N12O9Y — CID 158231986

IUPACmethane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
SMILESC.C.CCc1ccn2ncc(C(=O)OC)c2c1.COC(=O)c1cnn2ccc(CN)cc12.COC(=O)c1cnn2ccc(CN=[N+]=[N-])cc12.COC(=O)c1cnn2ccc(CO)cc12.[Y]
InChIInChI=1S/C11H12N2O2.C10H9N5O2.C10H11N3O2.C10H10N2O3.2CH4.Y/c1-3-8-4-5-13-10(6-8)9(7-12-13)11(14)15-2;1-17-10(16)8-6-13-15-3-2-7(4-9(8)15)5-12-14-11;1-15-10(14)8-6-12-13-3-2-7(5-11)4-9(8)13;1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;;;/h4-7H,3H2,1-2H3;2-4,6H,5H2,1H3;2-4,6H,5,11H2,1H3;2-5,13H,6H2,1H3;2*1H4;
InChIKeyCEQKSBCRNCWCIH-UHFFFAOYSA-N
MW967.85 g/mol
LogP6.08
Rot. Bonds9

About methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium

methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium (PubChem CID 158231986) has the molecular formula C43H50N12O9Y and a molecular weight of 967.85 g/mol. Its IUPAC name is methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium.

Molecular Properties

Compound Namemethane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
PubChem CID158231986
Molecular FormulaC43H50N12O9Y
Molecular Weight967.85 g/mol
Exact Mass967.29
IUPAC Namemethane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
SMILESC.C.CCc1ccn2ncc(C(=O)OC)c2c1.COC(=O)c1cnn2ccc(CN)cc12.COC(=O)c1cnn2ccc(CN=[N+]=[N-])cc12.COC(=O)c1cnn2ccc(CO)cc12.[Y]
InChIInChI=1S/C11H12N2O2.C10H9N5O2.C10H11N3O2.C10H10N2O3.2CH4.Y/c1-3-8-4-5-13-10(6-8)9(7-12-13)11(14)15-2;1-17-10(16)8-6-13-15-3-2-7(4-9(8)15)5-12-14-11;1-15-10(14)8-6-12-13-3-2-7(5-11)4-9(8)13;1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;;;/h4-7H,3H2,1-2H3;2-4,6H,5H2,1H3;2-4,6H,5,11H2,1H3;2-5,13H,6H2,1H3;2*1H4;
InChIKeyCEQKSBCRNCWCIH-UHFFFAOYSA-N
XLogP6.08
TPSA269.41 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.85
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium with MolForge

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Related Compounds

Lithium;ethyl 6-methyl-7-[1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazine-5-carboxylate;methane;6-methyl-7-[1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]pyrrolo[1,2-b]pyridazine-5-carboxylic acid;hydroxide
CID 157724655
Lithium;alumane;dichloromethane;dioxomanganese;ethyl 5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydride;oxolane;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 160253905
Dipotassium;ethyl prop-2-ynoate;ethyl 4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate;hydride;4-methylpyridine;oxido formate;2,3,5,6-tetradeuterio-4-(trideuteriomethyl)pyridine;4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;1-(4,6,7-trideuterio-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
CID 161127111
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-carboxylic acid
CID 165105074
Methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 167618156
Sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
CID 167687257
Sodium;methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
CID 167711531
2,5-Dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;3-formylpyrazolo[1,5-a]pyridine-5-carbonitrile;methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 173105185
Hexakis(methyl pyrazolo[1,5-a]pyridin-8-ium-1-ide-3-carboxylate);tris(palladium(2+));hexaacetate
CID 168332577
Ethyl 2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 161906727
2-[[1-[2-Methyl-4-[2-[[6-(pyrazol-1-ylmethyl)-3-pyridinyl]methyl]pyridine-4-carbonyl]oxybutyl]-6-(pyrazol-1-ylmethyl)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxylic acid
CID 123278917
3-[3-(Hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123643122

Frequently Asked Questions

What is the IUPAC name of methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium?
The IUPAC name of methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium (CID 158231986) is methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium.
What is the SMILES notation for methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium?
The canonical SMILES for methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium is C.C.CCc1ccn2ncc(C(=O)OC)c2c1.COC(=O)c1cnn2ccc(CN)cc12.COC(=O)c1cnn2ccc(CN=[N+]=[N-])cc12.COC(=O)c1cnn2ccc(CO)cc12.[Y].
What is the InChIKey of methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium?
The InChIKey is CEQKSBCRNCWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C10H9N5O2.C10H11N3O2.C10H10N2O3.2CH4.Y/c1-3-8-4-5-13-10(6-8)9(7-12-13)11(14)15-2;1-17-10(16)8-6-13-15-3-2-7(4-9(8)15)5-12-14-11;1-15-10(14)8-6-12-13-3-2-7(5-11)4-9(8)13;1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;;;/h4-7H,3H2,1-2H3;2-4,6H,5H2,1H3;2-4,6H,5,11H2,1H3;2-5,13H,6H2,1H3;2*1H4;.
What are the key properties of methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium?
methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium has a molecular weight of 967.85 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium is sourced from PubChem (CID 158231986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).