dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate

C58H72Cl5N10O12P — CID 157056341

IUPACdichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate
SMILESC.C.C.CC(=O)OCCc1ccn2ncc(C=O)c2c1.CC(=O)OCCc1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(CCO)cc12.ClCCl.O=Cc1cnn2ccc(CCO)cc12.O=P(Cl)(Cl)Cl.OCCc1ccn2nccc2c1
InChIInChI=1S/C12H12N2O3.C12H14N2O3.C11H12N2O2.C10H10N2O2.C9H10N2O.CH2Cl2.3CH4.Cl3OP/c1-9(16)17-5-3-10-2-4-14-12(6-10)11(8-15)7-13-14;1-2-17-12(16)10-8-13-14-5-3-9(4-6-15)7-11(10)14;1-9(14)15-7-4-10-3-6-13-11(8-10)2-5-12-13;13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;12-6-3-8-2-5-11-9(7-8)1-4-10-11;2-1-3;;;;1-5(2,3)4/h2,4,6-8H,3,5H2,1H3;3,5,7-8,15H,2,4,6H2,1H3;2-3,5-6,8H,4,7H2,1H3;1,3,5-7,13H,2,4H2;1-2,4-5,7,12H,3,6H2;1H2;3*1H4;
InChIKeyAAUMOFCTIOUNOF-UHFFFAOYSA-N
MW1309.51 g/mol
LogP11.43
Rot. Bonds16

About dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate

dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate (PubChem CID 157056341) has the molecular formula C58H72Cl5N10O12P and a molecular weight of 1309.51 g/mol. Its IUPAC name is dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate.

Molecular Properties

Compound Namedichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate
PubChem CID157056341
Molecular FormulaC58H72Cl5N10O12P
Molecular Weight1309.51 g/mol
Exact Mass1306.35
IUPAC Namedichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate
SMILESC.C.C.CC(=O)OCCc1ccn2ncc(C=O)c2c1.CC(=O)OCCc1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(CCO)cc12.ClCCl.O=Cc1cnn2ccc(CCO)cc12.O=P(Cl)(Cl)Cl.OCCc1ccn2nccc2c1
InChIInChI=1S/C12H12N2O3.C12H14N2O3.C11H12N2O2.C10H10N2O2.C9H10N2O.CH2Cl2.3CH4.Cl3OP/c1-9(16)17-5-3-10-2-4-14-12(6-10)11(8-15)7-13-14;1-2-17-12(16)10-8-13-14-5-3-9(4-6-15)7-11(10)14;1-9(14)15-7-4-10-3-6-13-11(8-10)2-5-12-13;13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;12-6-3-8-2-5-11-9(7-8)1-4-10-11;2-1-3;;;;1-5(2,3)4/h2,4,6-8H,3,5H2,1H3;3,5,7-8,15H,2,4,6H2,1H3;2-3,5-6,8H,4,7H2,1H3;1,3,5-7,13H,2,4H2;1-2,4-5,7,12H,3,6H2;1H2;3*1H4;
InChIKeyAAUMOFCTIOUNOF-UHFFFAOYSA-N
XLogP11.43
TPSA277.30 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.51
LogP ≤ 511.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate with MolForge

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Related Compounds

5-aminopyrazolo[1,5-a]pyridine-3-carbaldehyde;tris(dichloromethane);ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;methane;pyrazolo[1,5-a]pyridin-5-amine;2,2,2-trifluoroacetaldehyde;2,2,2-trifluoro-N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)acetamide;2,2,2-trifluoro-N-pyrazolo[1,5-a]pyridin-5-ylacetamide
CID 159004001
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
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
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 157808504
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
Cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid
CID 159170202
Dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 159211582
3-O-ethyl 5-O-methyl pyrazolo[1,5-a]pyridine-3,5-dicarboxylate;5-isocyanopyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;pyrazolo[1,5-a]pyridine-5-carboxamide;pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 159243545
Ethyl 2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanol
CID 159867281
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
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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate?
The IUPAC name of dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate (CID 157056341) is dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate.
What is the SMILES notation for dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate?
The canonical SMILES for dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate is C.C.C.CC(=O)OCCc1ccn2ncc(C=O)c2c1.CC(=O)OCCc1ccn2nccc2c1.CCOC(=O)c1cnn2ccc(CCO)cc12.ClCCl.O=Cc1cnn2ccc(CCO)cc12.O=P(Cl)(Cl)Cl.OCCc1ccn2nccc2c1.
What is the InChIKey of dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate?
The InChIKey is AAUMOFCTIOUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C12H14N2O3.C11H12N2O2.C10H10N2O2.C9H10N2O.CH2Cl2.3CH4.Cl3OP/c1-9(16)17-5-3-10-2-4-14-12(6-10)11(8-15)7-13-14;1-2-17-12(16)10-8-13-14-5-3-9(4-6-15)7-11(10)14;1-9(14)15-7-4-10-3-6-13-11(8-10)2-5-12-13;13-4-2-8-1-3-12-10(5-8)9(7-14)6-11-12;12-6-3-8-2-5-11-9(7-8)1-4-10-11;2-1-3;;;;1-5(2,3)4/h2,4,6-8H,3,5H2,1H3;3,5,7-8,15H,2,4,6H2,1H3;2-3,5-6,8H,4,7H2,1H3;1,3,5-7,13H,2,4H2;1-2,4-5,7,12H,3,6H2;1H2;3*1H4;.
What are the key properties of dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate?
dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate has a molecular weight of 1309.51 g/mol, XLogP of 11.43, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate is sourced from PubChem (CID 157056341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).