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

C12H17N5O — CID 11218854

IUPAC4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(N)=O)cnc21
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-17-12-9(7-16-17)10(13)8(6-15-12)11(14)18/h6-7H,2-5H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyWQPNAMODEMRTRC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds5

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

4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11218854) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11218854
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(N)=O)cnc21
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-17-12-9(7-16-17)10(13)8(6-15-12)11(14)18/h6-7H,2-5H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyWQPNAMODEMRTRC-UHFFFAOYSA-N
XLogP1.30
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
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-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11218854) is 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(N)=O)cnc21.
What is the InChIKey of 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WQPNAMODEMRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-4-5-17-12-9(7-16-17)10(13)8(6-15-12)11(14)18/h6-7H,2-5H2,1H3,(H2,13,15)(H2,14,18).
What are the key properties of 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).