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

C24H31N5O3 — CID 69182107

IUPACethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(CN2CCOCC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C24H31N5O3/c1-4-29-24-20(15-26-29)23(18-12-17(3)13-25-14-18)19(6-7-22(30)32-5-2)21(27-24)16-28-8-10-31-11-9-28/h12-15H,4-11,16H2,1-3H3
InChIKeyCMGILJDUSUXENH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.15
Rot. Bonds8

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

ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate (PubChem CID 69182107) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
PubChem CID69182107
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Nameethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(CN2CCOCC2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C24H31N5O3/c1-4-29-24-20(15-26-29)23(18-12-17(3)13-25-14-18)19(6-7-22(30)32-5-2)21(27-24)16-28-8-10-31-11-9-28/h12-15H,4-11,16H2,1-3H3
InChIKeyCMGILJDUSUXENH-UHFFFAOYSA-N
XLogP3.15
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The IUPAC name of ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate (CID 69182107) is ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The canonical SMILES for ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate is CCOC(=O)CCc1c(CN2CCOCC2)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
The InChIKey is CMGILJDUSUXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-4-29-24-20(15-26-29)23(18-12-17(3)13-25-14-18)19(6-7-22(30)32-5-2)21(27-24)16-28-8-10-31-11-9-28/h12-15H,4-11,16H2,1-3H3.
What are the key properties of ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate?
ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate has a molecular weight of 437.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-ethyl-4-(5-methyl-3-pyridinyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]propanoate is sourced from PubChem (CID 69182107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).