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

C17H16BrN3O2 — CID 19585747

IUPACmethyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21
InChIInChI=1S/C17H16BrN3O2/c1-4-21-16-15(10(2)20-21)13(17(22)23-3)9-14(19-16)11-6-5-7-12(18)8-11/h5-9H,4H2,1-3H3
InChIKeyBVOBWODTMFOKDL-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.98
Rot. Bonds3

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

methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19585747) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19585747
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Namemethyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21
InChIInChI=1S/C17H16BrN3O2/c1-4-21-16-15(10(2)20-21)13(17(22)23-3)9-14(19-16)11-6-5-7-12(18)8-11/h5-9H,4H2,1-3H3
InChIKeyBVOBWODTMFOKDL-UHFFFAOYSA-N
XLogP3.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
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
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616472
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
CID 100785538
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
methyl 4-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748867
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2346899

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19585747) is methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21.
What is the InChIKey of methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is BVOBWODTMFOKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-4-21-16-15(10(2)20-21)13(17(22)23-3)9-14(19-16)11-6-5-7-12(18)8-11/h5-9H,4H2,1-3H3.
What are the key properties of methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 374.24 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19585747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).