prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C15H20N4O2 — CID 10016983

IUPACprop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1cnc2c(cnn2CCC(C)C)c1N
InChIInChI=1S/C15H20N4O2/c1-4-7-21-15(20)12-8-17-14-11(13(12)16)9-18-19(14)6-5-10(2)3/h4,8-10H,1,5-7H2,2-3H3,(H2,16,17)
InChIKeyFRPZDZDCPWBNBU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate

prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10016983) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10016983
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameprop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1cnc2c(cnn2CCC(C)C)c1N
InChIInChI=1S/C15H20N4O2/c1-4-7-21-15(20)12-8-17-14-11(13(12)16)9-18-19(14)6-5-10(2)3/h4,8-10H,1,5-7H2,2-3H3,(H2,16,17)
InChIKeyFRPZDZDCPWBNBU-UHFFFAOYSA-N
XLogP2.40
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 10016983) is prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate is C=CCOC(=O)c1cnc2c(cnn2CCC(C)C)c1N.
What is the InChIKey of prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is FRPZDZDCPWBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-7-21-15(20)12-8-17-14-11(13(12)16)9-18-19(14)6-5-10(2)3/h4,8-10H,1,5-7H2,2-3H3,(H2,16,17).
What are the key properties of prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
prop-2-enyl 4-amino-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.40, 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-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10016983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).