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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Related Compounds

ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166307085
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 68787287
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
4-(6-chloro-4-ethoxycarbonyl-5-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 87262071
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 60911817

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).