1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate

C19H19BrN2O4 — CID 159404027

IUPAC1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC1COCCO1.COC(=O)c1c(-c2ccccc2)nn2cc(Br)ccc12
InChIInChI=1S/C15H11BrN2O2.C4H8O2/c1-20-15(19)13-12-8-7-11(16)9-18(12)17-14(13)10-5-3-2-4-6-10;1-2-6-4-3-5-1/h2-9H,1H3;1-4H2
InChIKeyLNSIWLNXTYHRQP-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.58
Rot. Bonds2

About 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate

1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 159404027) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID159404027
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC1COCCO1.COC(=O)c1c(-c2ccccc2)nn2cc(Br)ccc12
InChIInChI=1S/C15H11BrN2O2.C4H8O2/c1-20-15(19)13-12-8-7-11(16)9-18(12)17-14(13)10-5-3-2-4-6-10;1-2-6-4-3-5-1/h2-9H,1H3;1-4H2
InChIKeyLNSIWLNXTYHRQP-UHFFFAOYSA-N
XLogP3.58
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
6-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 2121566
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
2-Phenylpyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 12872295
5-(Methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123725403

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 159404027) is 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate is C1COCCO1.COC(=O)c1c(-c2ccccc2)nn2cc(Br)ccc12.
What is the InChIKey of 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is LNSIWLNXTYHRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2.C4H8O2/c1-20-15(19)13-12-8-7-11(16)9-18(12)17-14(13)10-5-3-2-4-6-10;1-2-6-4-3-5-1/h2-9H,1H3;1-4H2.
What are the key properties of 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 419.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;methyl 6-bromo-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 159404027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).