ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate

C16H15N3O2 — CID 66555933

IUPACethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cnc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)12-6-4-5-11(7-12)13-8-14-10(2)18-19-15(14)17-9-13/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyCNFMQBZXLLMNHS-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.11
Rot. Bonds3

About ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate

ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate (PubChem CID 66555933) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate
PubChem CID66555933
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cnc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)12-6-4-5-11(7-12)13-8-14-10(2)18-19-15(14)17-9-13/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyCNFMQBZXLLMNHS-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate?
The IUPAC name of ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate (CID 66555933) is ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate.
What is the SMILES notation for ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate?
The canonical SMILES for ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate is CCOC(=O)c1cccc(-c2cnc3n[nH]c(C)c3c2)c1.
What is the InChIKey of ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate?
The InChIKey is CNFMQBZXLLMNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)12-6-4-5-11(7-12)13-8-14-10(2)18-19-15(14)17-9-13/h4-9H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate?
ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate has a molecular weight of 281.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzoate is sourced from PubChem (CID 66555933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).