methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate

C16H14BrN3O2 — CID 123456430

IUPACmethyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCc1cnc2c(c1)c(C(=O)OC)nn2-c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-3-10-7-13-14(16(21)22-2)19-20(15(13)18-9-10)12-6-4-5-11(17)8-12/h4-9H,3H2,1-2H3
InChIKeyOHCJJFVJGIWKIO-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.53
Rot. Bonds3

About methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate

methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 123456430) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID123456430
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Namemethyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCc1cnc2c(c1)c(C(=O)OC)nn2-c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-3-10-7-13-14(16(21)22-2)19-20(15(13)18-9-10)12-6-4-5-11(17)8-12/h4-9H,3H2,1-2H3
InChIKeyOHCJJFVJGIWKIO-UHFFFAOYSA-N
XLogP3.53
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}benzoate
CID 2235559
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
Ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 2997652
Ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 3000130
Ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601939
Ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732285

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 123456430) is methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate is CCc1cnc2c(c1)c(C(=O)OC)nn2-c1cccc(Br)c1.
What is the InChIKey of methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is OHCJJFVJGIWKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-3-10-7-13-14(16(21)22-2)19-20(15(13)18-9-10)12-6-4-5-11(17)8-12/h4-9H,3H2,1-2H3.
What are the key properties of methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 360.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-bromophenyl)-5-ethylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 123456430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).