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

C13H19N5O — CID 14590541

IUPAC4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NC)cnc21
InChIInChI=1S/C13H19N5O/c1-3-4-5-6-18-12-9(8-17-18)11(14)10(7-16-12)13(19)15-2/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyWEIKMCMVHBXQGQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.56
Rot. Bonds5

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

4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 14590541) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID14590541
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NC)cnc21
InChIInChI=1S/C13H19N5O/c1-3-4-5-6-18-12-9(8-17-18)11(14)10(7-16-12)13(19)15-2/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyWEIKMCMVHBXQGQ-UHFFFAOYSA-N
XLogP1.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.56
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-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 14590541) is 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(=O)NC)cnc21.
What is the InChIKey of 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WEIKMCMVHBXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-4-5-6-18-12-9(8-17-18)11(14)10(7-16-12)13(19)15-2/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,19).
What are the key properties of 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 14590541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).