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

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
Ridine-5-carboxylic acid ethyl ester
CID 14590509
Pyrazolo pyridine, 11
CID 44246252
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
Prop-2-ynyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9972017
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016303
Prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016983
Prop-2-enyl 4-amino-1-hex-5-ynyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
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).