propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C14H17FN4O2 — CID 166876548

IUPACpropan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1cnc2[nH]nc(N3CCC(F)C3)c2c1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-14(20)9-5-11-12(16-6-9)17-18-13(11)19-4-3-10(15)7-19/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyWABGUISOCWHUAU-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.07
Rot. Bonds3

About propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 166876548) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID166876548
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Namepropan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1cnc2[nH]nc(N3CCC(F)C3)c2c1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-14(20)9-5-11-12(16-6-9)17-18-13(11)19-4-3-10(15)7-19/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyWABGUISOCWHUAU-UHFFFAOYSA-N
XLogP2.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 166876548) is propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CC(C)OC(=O)c1cnc2[nH]nc(N3CCC(F)C3)c2c1.
What is the InChIKey of propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is WABGUISOCWHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8(2)21-14(20)9-5-11-12(16-6-9)17-18-13(11)19-4-3-10(15)7-19/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-fluoropyrrolidin-1-yl)-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 166876548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).