ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

C18H27N5O3 — CID 1473451

IUPACethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1NCCN1CCOCC1
InChIInChI=1S/C18H27N5O3/c1-4-23-17-15(13(3)21-23)16(14(12-20-17)18(24)26-5-2)19-6-7-22-8-10-25-11-9-22/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyQMIMQPBZUFLTON-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.68
Rot. Bonds7

About ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 1473451) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID1473451
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Nameethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1NCCN1CCOCC1
InChIInChI=1S/C18H27N5O3/c1-4-23-17-15(13(3)21-23)16(14(12-20-17)18(24)26-5-2)19-6-7-22-8-10-25-11-9-22/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyQMIMQPBZUFLTON-UHFFFAOYSA-N
XLogP1.68
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 1473451) is ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCCN1CCOCC1.
What is the InChIKey of ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is QMIMQPBZUFLTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-4-23-17-15(13(3)21-23)16(14(12-20-17)18(24)26-5-2)19-6-7-22-8-10-25-11-9-22/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-methyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 1473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).