5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine

C22H17ClF6N6O — CID 168948394

IUPAC5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)Cn1nc(-c2ccnn2C2CCCCO2)c2nc(Cl)cc(-c3cccnc3C(F)(F)F)c21
InChIInChI=1S/C22H17ClF6N6O/c23-15-10-13(12-4-3-7-30-20(12)22(27,28)29)19-18(32-15)17(33-34(19)11-21(24,25)26)14-6-8-31-35(14)16-5-1-2-9-36-16/h3-4,6-8,10,16H,1-2,5,9,11H2
InChIKeyUBUUZMMHMLAGDZ-UHFFFAOYSA-N
MW530.86 g/mol
LogP6.29
Rot. Bonds4

About 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine

5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine (PubChem CID 168948394) has the molecular formula C22H17ClF6N6O and a molecular weight of 530.86 g/mol. Its IUPAC name is 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine
PubChem CID168948394
Molecular FormulaC22H17ClF6N6O
Molecular Weight530.86 g/mol
Exact Mass530.11
IUPAC Name5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)Cn1nc(-c2ccnn2C2CCCCO2)c2nc(Cl)cc(-c3cccnc3C(F)(F)F)c21
InChIInChI=1S/C22H17ClF6N6O/c23-15-10-13(12-4-3-7-30-20(12)22(27,28)29)19-18(32-15)17(33-34(19)11-21(24,25)26)14-6-8-31-35(14)16-5-1-2-9-36-16/h3-4,6-8,10,16H,1-2,5,9,11H2
InChIKeyUBUUZMMHMLAGDZ-UHFFFAOYSA-N
XLogP6.29
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9725449, Example 4
CID 122686497
US9725449, Example 37
CID 122686504
US9725449, Example 5
CID 122686585
US9725449, Example 280
CID 122694907
US9725449, Example 314
CID 122694935
US10377753, Example 240
CID 124176088
3-Chloro-6-(4-fluoro-3-methyl-phenyl)-1-(pyridazin-3-
CID 124176466
3-Chloro-1-(pyridazin-3-ylmethyl)-6-[3-
CID 124176467
US9725449, Example 315
CID 138403663
US9725449, Example 316
CID 138403664
US9725449, Example 322
CID 138403666
US11530210, Example 158
CID 155388948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine (CID 168948394) is 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine is FC(F)(F)Cn1nc(-c2ccnn2C2CCCCO2)c2nc(Cl)cc(-c3cccnc3C(F)(F)F)c21.
What is the InChIKey of 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine?
The InChIKey is UBUUZMMHMLAGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF6N6O/c23-15-10-13(12-4-3-7-30-20(12)22(27,28)29)19-18(32-15)17(33-34(19)11-21(24,25)26)14-6-8-31-35(14)16-5-1-2-9-36-16/h3-4,6-8,10,16H,1-2,5,9,11H2.
What are the key properties of 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine?
5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine has a molecular weight of 530.86 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 168948394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).