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

C21H14BrN3O3 — CID 86704710

IUPACmethyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(Br)ccc23)n1
InChIInChI=1S/C21H14BrN3O3/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/h2-12H,1H3
InChIKeyLZOCQAQWPSUHTI-UHFFFAOYSA-N
MW436.27 g/mol
LogP4.18
Rot. Bonds4

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

methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 86704710) has the molecular formula C21H14BrN3O3 and a molecular weight of 436.27 g/mol. Its IUPAC name is methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID86704710
Molecular FormulaC21H14BrN3O3
Molecular Weight436.27 g/mol
Exact Mass435.02
IUPAC Namemethyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(Br)ccc23)n1
InChIInChI=1S/C21H14BrN3O3/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/h2-12H,1H3
InChIKeyLZOCQAQWPSUHTI-UHFFFAOYSA-N
XLogP4.18
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
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
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621
6-[(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704827
6-[(6-Acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704843
Ethyl 2-phenyl-5-pyridin-3-ylpyrazole-3-carboxylate
CID 2342155

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 86704710) is methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(Br)ccc23)n1.
What is the InChIKey of methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is LZOCQAQWPSUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O3/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/h2-12H,1H3.
What are the key properties of methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 436.27 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 86704710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).