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

C18H19N3O3 — CID 19585703

IUPACmethyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(OC)c3)nc21
InChIInChI=1S/C18H19N3O3/c1-5-21-17-16(11(2)20-21)14(18(22)24-4)10-15(19-17)12-7-6-8-13(9-12)23-3/h6-10H,5H2,1-4H3
InChIKeyXUVMVBYDEJCRNU-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.22
Rot. Bonds4

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

methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19585703) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19585703
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(OC)c3)nc21
InChIInChI=1S/C18H19N3O3/c1-5-21-17-16(11(2)20-21)14(18(22)24-4)10-15(19-17)12-7-6-8-13(9-12)23-3/h6-10H,5H2,1-4H3
InChIKeyXUVMVBYDEJCRNU-UHFFFAOYSA-N
XLogP3.22
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
methyl 1-benzyl-6-(3-bromophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497952
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854181
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2346899
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
N-[1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822123
methyl 7-(3-methoxyphenyl)-4-oxo-1-propan-2-yl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 44823585
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19585703) is methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(OC)c3)nc21.
What is the InChIKey of methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XUVMVBYDEJCRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-21-17-16(11(2)20-21)14(18(22)24-4)10-15(19-17)12-7-6-8-13(9-12)23-3/h6-10H,5H2,1-4H3.
What are the key properties of methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19585703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).