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

C23H28N4O2 — CID 69185511

IUPACethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C2CCCCC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H28N4O2/c1-4-27-22-18(14-25-27)19(17-11-15(3)12-24-13-17)20(23(28)29-5-2)21(26-22)16-9-7-6-8-10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyVDEHSKXKQGUKCZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.05
Rot. Bonds5

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

ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69185511) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69185511
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Nameethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C2CCCCC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H28N4O2/c1-4-27-22-18(14-25-27)19(17-11-15(3)12-24-13-17)20(23(28)29-5-2)21(26-22)16-9-7-6-8-10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyVDEHSKXKQGUKCZ-UHFFFAOYSA-N
XLogP5.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 3-[6-cyclobutyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91464263
ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183938
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 3-[4-(5-bromo-3-pyridinyl)-6-cyclopentyl-1-ethylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90932044
6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 69186406
ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
CID 69184087
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
methyl 4-(2-chloro-4-pyridinyl)-6-cyclopropyl-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 87726986
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 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185491
3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 69183092

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 69185511) is ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(C2CCCCC2)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VDEHSKXKQGUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-27-22-18(14-25-27)19(17-11-15(3)12-24-13-17)20(23(28)29-5-2)21(26-22)16-9-7-6-8-10-16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69185511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).