methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H18BrN3O4 — CID 19497977

IUPACmethyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21
InChIInChI=1S/C19H18BrN3O4/c1-4-27-16(24)10-23-18-17(11(2)22-23)14(19(25)26-3)9-15(21-18)12-6-5-7-13(20)8-12/h5-9H,4,10H2,1-3H3
InChIKeyLPQJXNKJPOYEHO-UHFFFAOYSA-N
MW432.27 g/mol
LogP3.52
Rot. Bonds5

About methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19497977) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19497977
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Namemethyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21
InChIInChI=1S/C19H18BrN3O4/c1-4-27-16(24)10-23-18-17(11(2)22-23)14(19(25)26-3)9-15(21-18)12-6-5-7-13(20)8-12/h5-9H,4,10H2,1-3H3
InChIKeyLPQJXNKJPOYEHO-UHFFFAOYSA-N
XLogP3.52
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747
methyl 1-benzyl-6-(3-bromophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497952
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
CID 100785538
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497159
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2346899
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
methyl 2-[4-(difluoromethyl)-6-(4-ethylphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29091603

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19497977) is methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21.
What is the InChIKey of methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LPQJXNKJPOYEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-4-27-16(24)10-23-18-17(11(2)22-23)14(19(25)26-3)9-15(21-18)12-6-5-7-13(20)8-12/h5-9H,4,10H2,1-3H3.
What are the key properties of methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 432.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19497977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).