ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H18N4O2 — CID 11185982

IUPACethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-4-23-17(22)13-10-18-16-14(11(2)20-21(16)3)15(13)19-12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyYVHXFHZNAGKCOJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.20
Rot. Bonds4

About ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 11185982) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID11185982
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nameethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-4-23-17(22)13-10-18-16-14(11(2)20-21(16)3)15(13)19-12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyYVHXFHZNAGKCOJ-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 11185982) is ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YVHXFHZNAGKCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-23-17(22)13-10-18-16-14(11(2)20-21(16)3)15(13)19-12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 11185982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).