ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate

C21H24N4O2 — CID 90938109

IUPACethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1c(CC)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C21H24N4O2/c1-5-18-16(8-9-19(26)27-7-3)20(15-10-14(4)11-22-12-15)17-13-23-25(6-2)21(17)24-18/h8-13H,5-7H2,1-4H3
InChIKeyWSGLBLNSIJUWNK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.96
Rot. Bonds6

About ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate

ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate (PubChem CID 90938109) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
PubChem CID90938109
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Nameethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1c(CC)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C21H24N4O2/c1-5-18-16(8-9-19(26)27-7-3)20(15-10-14(4)11-22-12-15)17-13-23-25(6-2)21(17)24-18/h8-13H,5-7H2,1-4H3
InChIKeyWSGLBLNSIJUWNK-UHFFFAOYSA-N
XLogP3.96
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate with MolForge

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Related Compounds

ethyl (E)-3-[6-(cyclopropylmethoxymethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 86602405
ethyl 3-[6-cyclobutyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91464263
ethyl 3-[4-(5-bromo-3-pyridinyl)-1-ethyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91121053
ethyl 3-[4-(5-bromo-3-pyridinyl)-6-cyclopentyl-1-ethylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90932044
1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87726070
ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
CID 69184087
ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183938
3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 69186448
1-[3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enyl]piperidine-4-carboxylic acid
CID 69185543
ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
CID 69182107
ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185511
ethyl 3-[4-(2-chloro-4-pyridinyl)-1-ethyl-6-phenylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90797215

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate (CID 90938109) is ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate is CCOC(=O)C=Cc1c(CC)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate?
The InChIKey is WSGLBLNSIJUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-18-16(8-9-19(26)27-7-3)20(15-10-14(4)11-22-12-15)17-13-23-25(6-2)21(17)24-18/h8-13H,5-7H2,1-4H3.
What are the key properties of ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate?
ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate has a molecular weight of 364.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate is sourced from PubChem (CID 90938109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).