5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)

C34H34N12O4Y4 — CID 160567394

IUPAC5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)
SMILESCOC(=O)c1cnn2ccc(CO)cc12.NCc1ccn2nccc2c1.OCc1ccn2nccc2c1.[N-]=[N+]=NCc1ccn2nccc2c1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H10N2O3.C8H7N5.C8H9N3.C8H8N2O.4Y/c1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;9-12-10-6-7-2-4-13-8(5-7)1-3-11-13;9-6-7-2-4-11-8(5-7)1-3-10-11;11-6-7-2-4-10-8(5-7)1-3-9-10;;;;/h2-5,13H,6H2,1H3;1-5H,6H2;1-5H,6,9H2;1-5,11H,6H2;;;;
InChIKeyUMHLVHBHMCSVIX-UHFFFAOYSA-N
MW1030.35 g/mol
LogP4.37
Rot. Bonds6

About 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)

5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium) (PubChem CID 160567394) has the molecular formula C34H34N12O4Y4 and a molecular weight of 1030.35 g/mol. Its IUPAC name is 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium).

Molecular Properties

Compound Name5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)
PubChem CID160567394
Molecular FormulaC34H34N12O4Y4
Molecular Weight1030.35 g/mol
Exact Mass1029.91
IUPAC Name5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)
SMILESCOC(=O)c1cnn2ccc(CO)cc12.NCc1ccn2nccc2c1.OCc1ccn2nccc2c1.[N-]=[N+]=NCc1ccn2nccc2c1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H10N2O3.C8H7N5.C8H9N3.C8H8N2O.4Y/c1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;9-12-10-6-7-2-4-13-8(5-7)1-3-11-13;9-6-7-2-4-11-8(5-7)1-3-10-11;11-6-7-2-4-10-8(5-7)1-3-9-10;;;;/h2-5,13H,6H2,1H3;1-5H,6H2;1-5H,6,9H2;1-5,11H,6H2;;;;
InChIKeyUMHLVHBHMCSVIX-UHFFFAOYSA-N
XLogP4.37
TPSA210.74 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.35
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(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
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
[3-[6-[[(1S)-1-phenylethyl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methanol;3-[6-(piperidin-4-ylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid;N-piperidin-4-yl-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 89734814
[3-[6-(1-phenylethylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methanol;3-[6-(piperidin-4-ylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid;N-piperidin-4-yl-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 89734818
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

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)?
The IUPAC name of 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium) (CID 160567394) is 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium).
What is the SMILES notation for 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)?
The canonical SMILES for 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium) is COC(=O)c1cnn2ccc(CO)cc12.NCc1ccn2nccc2c1.OCc1ccn2nccc2c1.[N-]=[N+]=NCc1ccn2nccc2c1.[Y].[Y].[Y].[Y].
What is the InChIKey of 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)?
The InChIKey is UMHLVHBHMCSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C8H7N5.C8H9N3.C8H8N2O.4Y/c1-15-10(14)8-5-11-12-3-2-7(6-13)4-9(8)12;9-12-10-6-7-2-4-13-8(5-7)1-3-11-13;9-6-7-2-4-11-8(5-7)1-3-10-11;11-6-7-2-4-10-8(5-7)1-3-9-10;;;;/h2-5,13H,6H2,1H3;1-5H,6H2;1-5H,6,9H2;1-5,11H,6H2;;;;.
What are the key properties of 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)?
5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium) has a molecular weight of 1030.35 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium) is sourced from PubChem (CID 160567394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).