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

C40H42Cl3N10O9P — CID 159243545

IUPAC3-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
SMILESC.C.C.CCOC(=O)c1cnn2ccc(C(=O)OC)cc12.NC(=O)c1ccn2nccc2c1.O=C(O)c1ccn2nccc2c1.O=P(Cl)(Cl)Cl.[C-]#[N+]c1ccn2ncc(C=O)c2c1
InChIInChI=1S/C12H12N2O4.C9H5N3O.C8H7N3O.C8H6N2O2.3CH4.Cl3OP/c1-3-18-12(16)9-7-13-14-5-4-8(6-10(9)14)11(15)17-2;1-10-8-2-3-12-9(4-8)7(6-13)5-11-12;9-8(12)6-2-4-11-7(5-6)1-3-10-11;11-8(12)6-2-4-10-7(5-6)1-3-9-10;;;;1-5(2,3)4/h4-7H,3H2,1-2H3;2-6H;1-5H,(H2,9,12);1-5H,(H,11,12);3*1H4;
InChIKeyKUJZLTAFUXPULU-UHFFFAOYSA-N
MW944.17 g/mol
LogP9.18
Rot. Bonds6

About 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

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 (PubChem CID 159243545) has the molecular formula C40H42Cl3N10O9P and a molecular weight of 944.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159243545
Molecular FormulaC40H42Cl3N10O9P
Molecular Weight944.17 g/mol
Exact Mass942.19
IUPAC Name3-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
SMILESC.C.C.CCOC(=O)c1cnn2ccc(C(=O)OC)cc12.NC(=O)c1ccn2nccc2c1.O=C(O)c1ccn2nccc2c1.O=P(Cl)(Cl)Cl.[C-]#[N+]c1ccn2ncc(C=O)c2c1
InChIInChI=1S/C12H12N2O4.C9H5N3O.C8H7N3O.C8H6N2O2.3CH4.Cl3OP/c1-3-18-12(16)9-7-13-14-5-4-8(6-10(9)14)11(15)17-2;1-10-8-2-3-12-9(4-8)7(6-13)5-11-12;9-8(12)6-2-4-11-7(5-6)1-3-10-11;11-8(12)6-2-4-10-7(5-6)1-3-9-10;;;;1-5(2,3)4/h4-7H,3H2,1-2H3;2-6H;1-5H,(H2,9,12);1-5H,(H,11,12);3*1H4;
InChIKeyKUJZLTAFUXPULU-UHFFFAOYSA-N
XLogP9.18
TPSA240.69 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.17
LogP ≤ 59.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 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
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
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
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
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
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
CID 157832060
5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
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
Methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid
CID 158233837
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-3-carboxylic acid;ethyl 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-3-carboxylate
CID 158573103

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.CCOC(=O)c1cnn2ccc(C(=O)OC)cc12.NC(=O)c1ccn2nccc2c1.O=C(O)c1ccn2nccc2c1.O=P(Cl)(Cl)Cl.[C-]#[N+]c1ccn2ncc(C=O)c2c1.
What is the InChIKey of 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?
The InChIKey is KUJZLTAFUXPULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C9H5N3O.C8H7N3O.C8H6N2O2.3CH4.Cl3OP/c1-3-18-12(16)9-7-13-14-5-4-8(6-10(9)14)11(15)17-2;1-10-8-2-3-12-9(4-8)7(6-13)5-11-12;9-8(12)6-2-4-11-7(5-6)1-3-10-11;11-8(12)6-2-4-10-7(5-6)1-3-9-10;;;;1-5(2,3)4/h4-7H,3H2,1-2H3;2-6H;1-5H,(H2,9,12);1-5H,(H,11,12);3*1H4;.
What are the key properties of 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?
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 has a molecular weight of 944.17 g/mol, XLogP of 9.18, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159243545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).