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

C11H11N3O2 — CID 76681112

IUPACethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1[nH]nc2ncccc12
InChIInChI=1S/C11H11N3O2/c1-2-16-10(15)6-5-9-8-4-3-7-12-11(8)14-13-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyVTTHJANFEYEJHD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds3

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

ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate (PubChem CID 76681112) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
PubChem CID76681112
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1[nH]nc2ncccc12
InChIInChI=1S/C11H11N3O2/c1-2-16-10(15)6-5-9-8-4-3-7-12-11(8)14-13-9/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyVTTHJANFEYEJHD-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'}

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Related Compounds

3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
CID 169463700
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
2-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]anilino)ethyl azetidine-1-carboxylate
CID 25253393
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
CID 25020625
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethane;ethyl (E)-3-(1,3-thiazol-2-yl)prop-2-enoate
CID 145121193

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate (CID 76681112) is ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate is CCOC(=O)C=Cc1[nH]nc2ncccc12.
What is the InChIKey of ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate?
The InChIKey is VTTHJANFEYEJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-10(15)6-5-9-8-4-3-7-12-11(8)14-13-9/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate?
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-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-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate is sourced from PubChem (CID 76681112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).