3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C21H26FN5O — CID 78318987

IUPAC3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C21H26FN5O/c1-13(2)27-20(14-3-5-26(6-4-14)16-11-28-12-16)8-19(25-27)15-7-17-18(22)10-24-21(17)23-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKeyNJYKWCYJGYJRDZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.72
Rot. Bonds4

About 3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 78318987) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID78318987
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C21H26FN5O/c1-13(2)27-20(14-3-5-26(6-4-14)16-11-28-12-16)8-19(25-27)15-7-17-18(22)10-24-21(17)23-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKeyNJYKWCYJGYJRDZ-UHFFFAOYSA-N
XLogP3.72
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.72
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)piperidin-4-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)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 78318987) is 3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-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)piperidin-4-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)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NJYKWCYJGYJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-13(2)27-20(14-3-5-26(6-4-14)16-11-28-12-16)8-19(25-27)15-7-17-18(22)10-24-21(17)23-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,23,24).
What are the key properties of 3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
3-fluoro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 383.47 g/mol, XLogP of 3.72, 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)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78318987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).