ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

C15H20N4O3 — CID 166307085

IUPACethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N2CC[C@@H](CCO)C2)nc2[nH]ncc12
InChIInChI=1S/C15H20N4O3/c1-2-22-15(21)11-7-13(17-14-12(11)8-16-18-14)19-5-3-10(9-19)4-6-20/h7-8,10,20H,2-6,9H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyBKVXOBZQZANGAO-JTQLQIEISA-N
MW304.35 g/mol
LogP1.34
Rot. Bonds5

About ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 166307085) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID166307085
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N2CC[C@@H](CCO)C2)nc2[nH]ncc12
InChIInChI=1S/C15H20N4O3/c1-2-22-15(21)11-7-13(17-14-12(11)8-16-18-14)19-5-3-10(9-19)4-6-20/h7-8,10,20H,2-6,9H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyBKVXOBZQZANGAO-JTQLQIEISA-N
XLogP1.34
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 20259118
ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 53782216
methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 57415679
ethyl 6-chloro-1H-pyrazolo(3,4-b)pyridine-4-carboxylate
CID 86678157
methyl 1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 90014086
Ethyl 1-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 123464985
propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 166876548
methyl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 166876557
propan-2-yl 3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 166876565
2,2-Difluoroethyl 1-methylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 166291296
2-Fluoroprop-2-enyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 166312908
Methyl 1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 45602130

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 166307085) is ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(N2CC[C@@H](CCO)C2)nc2[nH]ncc12.
What is the InChIKey of ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is BKVXOBZQZANGAO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-22-15(21)11-7-13(17-14-12(11)8-16-18-14)19-5-3-10(9-19)4-6-20/h7-8,10,20H,2-6,9H2,1H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 166307085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).