5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C21H22F3N5O2 — CID 78318735

IUPAC5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C21H22F3N5O2/c22-21(23,24)17-6-26-20-16(17)3-12(5-25-20)18-4-19(29(27-18)14-1-2-30-9-14)13-7-28(8-13)15-10-31-11-15/h3-6,13-15H,1-2,7-11H2,(H,25,26)
InChIKeyXBGADLUPRMBRCL-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.20
Rot. Bonds4

About 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 78318735) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID78318735
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C21H22F3N5O2/c22-21(23,24)17-6-26-20-16(17)3-12(5-25-20)18-4-19(29(27-18)14-1-2-30-9-14)13-7-28(8-13)15-10-31-11-15/h3-6,13-15H,1-2,7-11H2,(H,25,26)
InChIKeyXBGADLUPRMBRCL-UHFFFAOYSA-N
XLogP3.20
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 78318735) is 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12.
What is the InChIKey of 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XBGADLUPRMBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c22-21(23,24)17-6-26-20-16(17)3-12(5-25-20)18-4-19(29(27-18)14-1-2-30-9-14)13-7-28(8-13)15-10-31-11-15/h3-6,13-15H,1-2,7-11H2,(H,25,26).
What are the key properties of 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 433.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).