4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H23N5O — CID 10017063

IUPAC4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCCC)cnc21
InChIInChI=1S/C15H23N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h9-10H,3-8H2,1-2H3,(H2,16,18)(H,17,21)
InChIKeyZZMXPSUXVBZZEU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds7

About 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide

4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10017063) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10017063
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCCC)cnc21
InChIInChI=1S/C15H23N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h9-10H,3-8H2,1-2H3,(H2,16,18)(H,17,21)
InChIKeyZZMXPSUXVBZZEU-UHFFFAOYSA-N
XLogP2.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10017063) is 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(=O)NCCC)cnc21.
What is the InChIKey of 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZZMXPSUXVBZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-5-6-8-20-14-11(10-19-20)13(16)12(9-18-14)15(21)17-7-4-2/h9-10H,3-8H2,1-2H3,(H2,16,18)(H,17,21).
What are the key properties of 4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-1-pentyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.34, 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-propylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10017063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).