ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H22N4O3 — CID 2818961

IUPACethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C3CC3)nn2C)c1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-3-24-17(22)12-10-18-16-13(14(11-4-5-11)19-20(16)2)15(12)21-6-8-23-9-7-21/h10-11H,3-9H2,1-2H3
InChIKeyPWDSSKCNFLBKGG-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.86
Rot. Bonds4

About ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 2818961) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID2818961
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C3CC3)nn2C)c1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-3-24-17(22)12-10-18-16-13(14(11-4-5-11)19-20(16)2)15(12)21-6-8-23-9-7-21/h10-11H,3-9H2,1-2H3
InChIKeyPWDSSKCNFLBKGG-UHFFFAOYSA-N
XLogP1.86
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 3277
CID 3277
CID 37274
CID 37274
CID 5522
CID 5522
CID 37015
CID 37015
CID 14590509
CID 14590509
CID 44246252
CID 44246252
CID 53694473
CID 53694473
CID 9972017
CID 9972017
CID 9994975
CID 9994975
CID 10016303
CID 10016303
CID 10016983
CID 10016983
CID 10018405
CID 10018405

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 2818961) is ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C3CC3)nn2C)c1N1CCOCC1.
What is the InChIKey of ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is PWDSSKCNFLBKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-24-17(22)12-10-18-16-13(14(11-4-5-11)19-20(16)2)15(12)21-6-8-23-9-7-21/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-1-methyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2818961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).