4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H21N5O — CID 11150378

IUPAC4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESC=CCNC(=O)c1cnc2c(cnn2CCCCC)c1N
InChIInChI=1S/C15H21N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h4,9-10H,2-3,5-8H2,1H3,(H2,16,18)(H,17,21)
InChIKeyZKLMQVYJJJTGMI-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.12
Rot. Bonds7

About 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide

4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11150378) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11150378
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESC=CCNC(=O)c1cnc2c(cnn2CCCCC)c1N
InChIInChI=1S/C15H21N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h4,9-10H,2-3,5-8H2,1H3,(H2,16,18)(H,17,21)
InChIKeyZKLMQVYJJJTGMI-UHFFFAOYSA-N
XLogP2.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11150378) is 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide is C=CCNC(=O)c1cnc2c(cnn2CCCCC)c1N.
What is the InChIKey of 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZKLMQVYJJJTGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h4,9-10H,2-3,5-8H2,1H3,(H2,16,18)(H,17,21).
What are the key properties of 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pentyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11150378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).