methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

C97H88Cl5N15O15 — CID 159930678

IUPACmethyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C(C)(C)C)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(CC(C)C)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H20ClN3O3.C20H18ClN3O3.2C19H18ClN3O3.C18H14ClN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13;1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12;1-19(2,3)17-15(14-9-8-11(20)10-23(14)22-17)16(24)12-6-5-7-13(21-12)18(25)26-4;1-11(2)9-15-17(16-8-7-12(20)10-23(16)22-15)18(24)13-5-4-6-14(21-13)19(25)26-3;1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h5,8-13H,2-4,6-7H2,1H3;4,7-12H,2-3,5-6H2,1H3;5-10H,1-4H3;4-8,10-11H,9H2,1-3H3;2-4,7-10H,5-6H2,1H3
InChIKeyNZPFZTCRICWTKH-UHFFFAOYSA-N
MW1881.13 g/mol
LogP19.08
Rot. Bonds20

About methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (PubChem CID 159930678) has the molecular formula C97H88Cl5N15O15 and a molecular weight of 1881.13 g/mol. Its IUPAC name is methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
PubChem CID159930678
Molecular FormulaC97H88Cl5N15O15
Molecular Weight1881.13 g/mol
Exact Mass1877.50
IUPAC Namemethyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(C(C)(C)C)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(CC(C)C)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H20ClN3O3.C20H18ClN3O3.2C19H18ClN3O3.C18H14ClN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13;1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12;1-19(2,3)17-15(14-9-8-11(20)10-23(14)22-17)16(24)12-6-5-7-13(21-12)18(25)26-4;1-11(2)9-15-17(16-8-7-12(20)10-23(16)22-15)18(24)13-5-4-6-14(21-13)19(25)26-3;1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h5,8-13H,2-4,6-7H2,1H3;4,7-12H,2-3,5-6H2,1H3;5-10H,1-4H3;4-8,10-11H,9H2,1-3H3;2-4,7-10H,5-6H2,1H3
InChIKeyNZPFZTCRICWTKH-UHFFFAOYSA-N
XLogP19.08
TPSA367.80 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.13
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 158620467
Methyl 6-[[6-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 158945078
Hexakis(methyl pyrazolo[1,5-a]pyridin-8-ium-1-ide-3-carboxylate);tris(palladium(2+));hexaacetate
CID 168332577
Methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123191667
Methyl 6-(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123333211
Methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123595134
Methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[[2-(3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]-hydroxymethyl]pyridine-2-carboxylate
CID 157737619
Methyl 6-[(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 157841714
bis(3-chloro-6-(3-methoxybenzene-6-id-1-yl)-4-methylpyridazine);3-chloro-6-phenylpyridazine;2-(2H-fluoranthen-2-id-3-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);undecakis(iridium);heptakis(3-phenylpyridazine);tetrakis(2-phenylpyridine);pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid
CID 158427019
6-[(6-Chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159391758
Methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[2-(3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676253
6-[(6-Chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(2,6-diphenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid);sulfur dioxide;sulfur monoxide
CID 159843861

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (CID 159930678) is methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(C(C)(C)C)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(C3CCCCC3)nn3cc(Cl)ccc23)n1.COC(=O)c1cccc(C(=O)c2c(CC(C)C)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The InChIKey is NZPFZTCRICWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3.C20H18ClN3O3.2C19H18ClN3O3.C18H14ClN3O3/c1-28-21(27)16-9-5-8-15(23-16)20(26)18-17-11-10-14(22)12-25(17)24-19(18)13-6-3-2-4-7-13;1-27-20(26)15-8-4-7-14(22-15)19(25)17-16-10-9-13(21)11-24(16)23-18(17)12-5-2-3-6-12;1-19(2,3)17-15(14-9-8-11(20)10-23(14)22-17)16(24)12-6-5-7-13(21-12)18(25)26-4;1-11(2)9-15-17(16-8-7-12(20)10-23(16)22-15)18(24)13-5-4-6-14(21-13)19(25)26-3;1-25-18(24)13-4-2-3-12(20-13)17(23)15-14-8-7-11(19)9-22(14)21-16(15)10-5-6-10/h5,8-13H,2-4,6-7H2,1H3;4,7-12H,2-3,5-6H2,1H3;5-10H,1-4H3;4-8,10-11H,9H2,1-3H3;2-4,7-10H,5-6H2,1H3.
What are the key properties of methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate has a molecular weight of 1881.13 g/mol, XLogP of 19.08, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate;methyl 6-[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 159930678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).