ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C14H18N4O2 — CID 91287803

IUPACethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CC1
InChIInChI=1S/C14H18N4O2/c1-3-10-11(14(19)20-4-2)12(16-8-5-6-8)9-7-15-18-13(9)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyWILQELIUKRLLIJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds5

About ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 91287803) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID91287803
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CC1
InChIInChI=1S/C14H18N4O2/c1-3-10-11(14(19)20-4-2)12(16-8-5-6-8)9-7-15-18-13(9)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyWILQELIUKRLLIJ-UHFFFAOYSA-N
XLogP2.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 91287803) is ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(CC)nc2[nH]ncc2c1NC1CC1.
What is the InChIKey of ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WILQELIUKRLLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-11(14(19)20-4-2)12(16-8-5-6-8)9-7-15-18-13(9)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 91287803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).