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

C14H20N4O2 — CID 10016303

IUPACethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC)cnc21
InChIInChI=1S/C14H20N4O2/c1-3-5-6-7-18-13-10(9-17-18)12(15)11(8-16-13)14(19)20-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16)
InChIKeyBZUJWLCXCDGQNA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds6

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

ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10016303) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10016303
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC)cnc21
InChIInChI=1S/C14H20N4O2/c1-3-5-6-7-18-13-10(9-17-18)12(15)11(8-16-13)14(19)20-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16)
InChIKeyBZUJWLCXCDGQNA-UHFFFAOYSA-N
XLogP2.38
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10016303) is ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCCn1ncc2c(N)c(C(=O)OCC)cnc21.
What is the InChIKey of ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is BZUJWLCXCDGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-5-6-7-18-13-10(9-17-18)12(15)11(8-16-13)14(19)20-4-2/h8-9H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10016303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).