ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C22H28N4O2 — CID 69183938

IUPACethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C(CC)CC)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C22H28N4O2/c1-6-15(7-2)20-19(22(27)28-9-4)18(16-10-14(5)11-23-12-16)17-13-24-26(8-3)21(17)25-20/h10-13,15H,6-9H2,1-5H3
InChIKeyWINXMWQMYMSDCU-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.90
Rot. Bonds7

About ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69183938) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69183938
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Nameethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C(CC)CC)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C22H28N4O2/c1-6-15(7-2)20-19(22(27)28-9-4)18(16-10-14(5)11-23-12-16)17-13-24-26(8-3)21(17)25-20/h10-13,15H,6-9H2,1-5H3
InChIKeyWINXMWQMYMSDCU-UHFFFAOYSA-N
XLogP4.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

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
ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185511
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 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185491
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
3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 69185615
ethyl 3-[6-cyclobutyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91464263
3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 69186448
ethyl 3-[4-(5-bromo-3-pyridinyl)-1-ethyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91121053

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 69183938) is ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(C(CC)CC)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WINXMWQMYMSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-6-15(7-2)20-19(22(27)28-9-4)18(16-10-14(5)11-23-12-16)17-13-24-26(8-3)21(17)25-20/h10-13,15H,6-9H2,1-5H3.
What are the key properties of ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).