4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H12N3O4- — CID 7072454

IUPAC4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1ccc(Oc2c(C(=O)[O-])cnc3c2cnn3C)cc1
InChIInChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20)/p-1
InChIKeyRFEGFXKPUSHEIU-UHFFFAOYSA-M
MW298.28 g/mol
LogP1.13
Rot. Bonds4

About 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 7072454) has the molecular formula C15H12N3O4- and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID7072454
Molecular FormulaC15H12N3O4-
Molecular Weight298.28 g/mol
Exact Mass298.08
IUPAC Name4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1ccc(Oc2c(C(=O)[O-])cnc3c2cnn3C)cc1
InChIInChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20)/p-1
InChIKeyRFEGFXKPUSHEIU-UHFFFAOYSA-M
XLogP1.13
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 25315634
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 123677615
5-(4-methoxyphenoxy)-2-methylpyridazin-3-one
CID 10561535
(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 154752453
N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 136529821
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone
CID 10637678
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 7072454) is 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is COc1ccc(Oc2c(C(=O)[O-])cnc3c2cnn3C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is RFEGFXKPUSHEIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13N3O4/c1-18-14-11(8-17-18)13(12(7-16-14)15(19)20)22-10-5-3-9(21-2)4-6-10/h3-8H,1-2H3,(H,19,20)/p-1.
What are the key properties of 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 298.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 7072454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).