6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine

C15H16ClF3N4O2 — CID 170577625

IUPAC6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)OC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H16ClF3N4O2/c16-12-5-11-10(6-20-12)14(21-23(11)13-3-1-2-4-24-13)22-7-9(8-22)25-15(17,18)19/h5-6,9,13H,1-4,7-8H2
InChIKeyZGYYXSNXQTWLQQ-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine

6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine (PubChem CID 170577625) has the molecular formula C15H16ClF3N4O2 and a molecular weight of 376.77 g/mol. Its IUPAC name is 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine
PubChem CID170577625
Molecular FormulaC15H16ClF3N4O2
Molecular Weight376.77 g/mol
Exact Mass376.09
IUPAC Name6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)OC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H16ClF3N4O2/c16-12-5-11-10(6-20-12)14(21-23(11)13-3-1-2-4-24-13)22-7-9(8-22)25-15(17,18)19/h5-6,9,13H,1-4,7-8H2
InChIKeyZGYYXSNXQTWLQQ-UHFFFAOYSA-N
XLogP3.51
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine (CID 170577625) is 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine is FC(F)(F)OC1CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1.
What is the InChIKey of 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is ZGYYXSNXQTWLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O2/c16-12-5-11-10(6-20-12)14(21-23(11)13-3-1-2-4-24-13)22-7-9(8-22)25-15(17,18)19/h5-6,9,13H,1-4,7-8H2.
What are the key properties of 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine?
6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 376.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(oxan-2-yl)-3-[3-(trifluoromethoxy)azetidin-1-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170577625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).