ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate

C23H28N4O2 — CID 69184087

IUPACethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(CC2CC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H28N4O2/c1-4-27-23-19(14-25-27)22(17-10-15(3)12-24-13-17)18(8-9-21(28)29-5-2)20(26-23)11-16-6-7-16/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyUKBYGPQQRLXUEH-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.27
Rot. Bonds8

About ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate

ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate (PubChem CID 69184087) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
PubChem CID69184087
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Nameethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(CC2CC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H28N4O2/c1-4-27-23-19(14-25-27)22(17-10-15(3)12-24-13-17)18(8-9-21(28)29-5-2)20(26-23)11-16-6-7-16/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyUKBYGPQQRLXUEH-UHFFFAOYSA-N
XLogP4.27
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The IUPAC name of ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate (CID 69184087) is ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The canonical SMILES for ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate is CCOC(=O)CCc1c(CC2CC2)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The InChIKey is UKBYGPQQRLXUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-27-23-19(14-25-27)22(17-10-15(3)12-24-13-17)18(8-9-21(28)29-5-2)20(26-23)11-16-6-7-16/h10,12-14,16H,4-9,11H2,1-3H3.
What are the key properties of ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate has a molecular weight of 392.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate is sourced from PubChem (CID 69184087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).