ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

C13H16N4O2 — CID 166306315

IUPACethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N2CCCC2)nc2[nH]ncc12
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)9-7-11(17-5-3-4-6-17)15-12-10(9)8-14-16-12/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyMOUKZACOMCZYGQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.73
Rot. Bonds3

About ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 166306315) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID166306315
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N2CCCC2)nc2[nH]ncc12
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)9-7-11(17-5-3-4-6-17)15-12-10(9)8-14-16-12/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyMOUKZACOMCZYGQ-UHFFFAOYSA-N
XLogP1.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 166306315) is ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(N2CCCC2)nc2[nH]ncc12.
What is the InChIKey of ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is MOUKZACOMCZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-13(18)9-7-11(17-5-3-4-6-17)15-12-10(9)8-14-16-12/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 166306315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).