prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C16H20N4O2 — CID 10380060

IUPACprop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(cnn2CCC2CC2)c1N
InChIInChI=1S/C16H20N4O2/c1-3-8-22-16(21)13-10(2)19-15-12(14(13)17)9-18-20(15)7-6-11-4-5-11/h3,9,11H,1,4-8H2,2H3,(H2,17,19)
InChIKeyWYWHPGVGWKOHPL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.46
Rot. Bonds6

About prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10380060) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10380060
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameprop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(cnn2CCC2CC2)c1N
InChIInChI=1S/C16H20N4O2/c1-3-8-22-16(21)13-10(2)19-15-12(14(13)17)9-18-20(15)7-6-11-4-5-11/h3,9,11H,1,4-8H2,2H3,(H2,17,19)
InChIKeyWYWHPGVGWKOHPL-UHFFFAOYSA-N
XLogP2.46
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
Methyl 2-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 2164709
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10380060) is prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is C=CCOC(=O)c1c(C)nc2c(cnn2CCC2CC2)c1N.
What is the InChIKey of prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WYWHPGVGWKOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-8-22-16(21)13-10(2)19-15-12(14(13)17)9-18-20(15)7-6-11-4-5-11/h3,9,11H,1,4-8H2,2H3,(H2,17,19).
What are the key properties of prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10380060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).