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

C14H21N5O2 — CID 10266285

IUPAC4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NOCC)cnc21
InChIInChI=1S/C14H21N5O2/c1-3-5-6-7-19-13-10(9-17-19)12(15)11(8-16-13)14(20)18-21-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16)(H,18,20)
InChIKeyHTMDCKCFRUBOGT-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.88
Rot. Bonds7

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

4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10266285) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10266285
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NOCC)cnc21
InChIInChI=1S/C14H21N5O2/c1-3-5-6-7-19-13-10(9-17-19)12(15)11(8-16-13)14(20)18-21-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16)(H,18,20)
InChIKeyHTMDCKCFRUBOGT-UHFFFAOYSA-N
XLogP1.88
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10266285) is 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(=O)NOCC)cnc21.
What is the InChIKey of 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HTMDCKCFRUBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-5-6-7-19-13-10(9-17-19)12(15)11(8-16-13)14(20)18-21-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16)(H,18,20).
What are the key properties of 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethoxy-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10266285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).