3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C20H24FN5O — CID 78318865

IUPAC3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1
InChIInChI=1S/C20H24FN5O/c1-12(2)26-19(13-3-4-25(9-13)15-10-27-11-15)6-18(24-26)14-5-16-17(21)8-23-20(16)22-7-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyGEXWJSDYWQNHLQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.33
Rot. Bonds4

About 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 78318865) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID78318865
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1
InChIInChI=1S/C20H24FN5O/c1-12(2)26-19(13-3-4-25(9-13)15-10-27-11-15)6-18(24-26)14-5-16-17(21)8-23-20(16)22-7-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyGEXWJSDYWQNHLQ-UHFFFAOYSA-N
XLogP3.33
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 78318865) is 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1.
What is the InChIKey of 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GEXWJSDYWQNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-12(2)26-19(13-3-4-25(9-13)15-10-27-11-15)6-18(24-26)14-5-16-17(21)8-23-20(16)22-7-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,23).
What are the key properties of 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[5-[1-(oxetan-3-yl)pyrrolidin-3-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78318865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).