ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C21H21N5O3 — CID 69183055

IUPACethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cc(C)on2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C21H21N5O3/c1-5-26-20-15(11-23-26)17(14-7-12(3)9-22-10-14)18(21(27)28-6-2)19(24-20)16-8-13(4)29-25-16/h7-11H,5-6H2,1-4H3
InChIKeyCHQSTSWHMZFJNO-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.96
Rot. Bonds5

About ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69183055) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69183055
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Nameethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2cc(C)on2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C21H21N5O3/c1-5-26-20-15(11-23-26)17(14-7-12(3)9-22-10-14)18(21(27)28-6-2)19(24-20)16-8-13(4)29-25-16/h7-11H,5-6H2,1-4H3
InChIKeyCHQSTSWHMZFJNO-UHFFFAOYSA-N
XLogP3.96
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate 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

1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 87726959
ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183938
ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185511
ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185491
ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90938109
ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69182929
1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69183220
ethyl 3-[6-cyclobutyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91464263
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 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
CID 69182107
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 69183055) is ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(-c2cc(C)on2)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is CHQSTSWHMZFJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-5-26-20-15(11-23-26)17(14-7-12(3)9-22-10-14)18(21(27)28-6-2)19(24-20)16-8-13(4)29-25-16/h7-11H,5-6H2,1-4H3.
What are the key properties of ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69183055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).