4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H25N5O — CID 10470246

IUPAC4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCCCC)cnc21
InChIInChI=1S/C16H25N5O/c1-3-5-7-9-21-15-12(11-20-21)14(17)13(10-19-15)16(22)18-8-6-4-2/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeySTRCMCXWEYIKKH-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.73
Rot. Bonds8

About 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide

4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10470246) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10470246
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCCCC)cnc21
InChIInChI=1S/C16H25N5O/c1-3-5-7-9-21-15-12(11-20-21)14(17)13(10-19-15)16(22)18-8-6-4-2/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeySTRCMCXWEYIKKH-UHFFFAOYSA-N
XLogP2.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.73
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-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10470246) is 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(=O)NCCCC)cnc21.
What is the InChIKey of 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is STRCMCXWEYIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-5-7-9-21-15-12(11-20-21)14(17)13(10-19-15)16(22)18-8-6-4-2/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22).
What are the key properties of 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10470246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).