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

C14H21N5O — CID 14590543

IUPAC4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCC)cnc21
InChIInChI=1S/C14H21N5O/c1-3-5-6-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-4-2/h8-9H,3-7H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyXCLVALABQIGXDH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.95
Rot. Bonds6

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

4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 14590543) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID14590543
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCCn1ncc2c(N)c(C(=O)NCC)cnc21
InChIInChI=1S/C14H21N5O/c1-3-5-6-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-4-2/h8-9H,3-7H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyXCLVALABQIGXDH-UHFFFAOYSA-N
XLogP1.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.95
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-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 14590543) is 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCCn1ncc2c(N)c(C(=O)NCC)cnc21.
What is the InChIKey of 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XCLVALABQIGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-6-7-19-13-10(9-18-19)12(15)11(8-17-13)14(20)16-4-2/h8-9H,3-7H2,1-2H3,(H2,15,17)(H,16,20).
What are the key properties of 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 14590543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).