ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate

C11H11N3O2 — CID 169480456

IUPACethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc2[nH]ncc2c1
InChIInChI=1S/C11H11N3O2/c1-2-16-10(15)4-3-8-5-9-7-13-14-11(9)12-6-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyBEPRNHKAVCDMNZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds3

About ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate

ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate (PubChem CID 169480456) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate
PubChem CID169480456
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc2[nH]ncc2c1
InChIInChI=1S/C11H11N3O2/c1-2-16-10(15)4-3-8-5-9-7-13-14-11(9)12-6-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyBEPRNHKAVCDMNZ-UHFFFAOYSA-N
XLogP1.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 175662950
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
CID 169480130
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (E)-3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 134511046
ethyl 3-(5-chloro-3-pyridinyl)prop-2-enoate
CID 72747217
ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
CID 169480203
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
ethyl (E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoate
CID 66794771

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate (CID 169480456) is ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate is CCOC(=O)C=Cc1cnc2[nH]ncc2c1.
What is the InChIKey of ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate?
The InChIKey is BEPRNHKAVCDMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-10(15)4-3-8-5-9-7-13-14-11(9)12-6-8/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate?
ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate has a molecular weight of 217.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate is sourced from PubChem (CID 169480456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).