methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

C21H16N4O3 — CID 159819687

IUPACmethyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3cccnc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C21H16N4O3/c1-13-8-9-17-18(19(24-25(17)12-13)14-5-4-10-22-11-14)20(26)15-6-3-7-16(23-15)21(27)28-2/h3-12H,1-2H3
InChIKeyNMBNEJQFGZKVKQ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.12
Rot. Bonds4

About methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 159819687) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID159819687
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Namemethyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3cccnc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C21H16N4O3/c1-13-8-9-17-18(19(24-25(17)12-13)14-5-4-10-22-11-14)20(26)15-6-3-7-16(23-15)21(27)28-2/h3-12H,1-2H3
InChIKeyNMBNEJQFGZKVKQ-UHFFFAOYSA-N
XLogP3.12
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704841
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
6-[(6-Cyclopropyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704858
8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine-2-carboxylic acid
CID 118660735
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 159819687) is methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(-c3cccnc3)nn3cc(C)ccc23)n1.
What is the InChIKey of methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is NMBNEJQFGZKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13-8-9-17-18(19(24-25(17)12-13)14-5-4-10-22-11-14)20(26)15-6-3-7-16(23-15)21(27)28-2/h3-12H,1-2H3.
What are the key properties of methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-methyl-2-pyridin-3-ylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 159819687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).