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

C42H46N12O9Y — CID 161143973

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.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.CH4.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;1H4;
InChIKeyYFEXBCISQBRXOV-UHFFFAOYSA-N
MW951.81 g/mol
LogP5.44
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 161143973) has the molecular formula C42H46N12O9Y and a molecular weight of 951.81 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 CID161143973
Molecular FormulaC42H46N12O9Y
Molecular Weight951.81 g/mol
Exact Mass951.26
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.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.CH4.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;1H4;
InChIKeyYFEXBCISQBRXOV-UHFFFAOYSA-N
XLogP5.44
TPSA269.41 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.81
LogP ≤ 55.44
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

ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134548276
(3-methylpyrazolo[1,5-a]pyridin-5-yl)methanol
CID 158915350
(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride
CID 159601747
[3-(azidomethyl)phenyl]methanamine
CID 150198428
(3-chloropyrazolo[1,5-a]pyridin-5-yl)methanol
CID 163230560
methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831948
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 86671437

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 161143973) 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.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 YFEXBCISQBRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C10H9N5O2.C10H11N3O2.C10H10N2O3.CH4.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;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 951.81 g/mol, XLogP of 5.44, 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 161143973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).