3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

C59H40F20N14O4 — CID 159202855

IUPAC3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)cc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1.Fc1cc(-c2ccn3ncc(C(F)(F)F)c3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C16H12F5N3O.C15H11F5N4O.C14H7F7N4O.C14H10F3N3O/c1-15(17,18)12-8-23-24-5-4-10(6-13(12)24)11-2-3-14(22-7-11)25-9-16(19,20)21;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;15-9-3-7(4-22-12(9)26-6-13(16,17)18)10-1-2-25-11(24-10)8(5-23-25)14(19,20)21;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-8H,9H2,1H3;2-7H,8H2,1H3;1-5H,6H2;1-8H,9H2
InChIKeyKPMWNOAQADPTPO-UHFFFAOYSA-N
MW1389.02 g/mol
LogP15.52
Rot. Bonds14

About 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 159202855) has the molecular formula C59H40F20N14O4 and a molecular weight of 1389.02 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
PubChem CID159202855
Molecular FormulaC59H40F20N14O4
Molecular Weight1389.02 g/mol
Exact Mass1388.30
IUPAC Name3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)cc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1.Fc1cc(-c2ccn3ncc(C(F)(F)F)c3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C16H12F5N3O.C15H11F5N4O.C14H7F7N4O.C14H10F3N3O/c1-15(17,18)12-8-23-24-5-4-10(6-13(12)24)11-2-3-14(22-7-11)25-9-16(19,20)21;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;15-9-3-7(4-22-12(9)26-6-13(16,17)18)10-1-2-25-11(24-10)8(5-23-25)14(19,20)21;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-8H,9H2,1H3;2-7H,8H2,1H3;1-5H,6H2;1-8H,9H2
InChIKeyKPMWNOAQADPTPO-UHFFFAOYSA-N
XLogP15.52
TPSA183.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.02
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

WO2022090481, Example I-022
CID 163273430
3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879519
US10023570, Example 674
CID 126740224
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
WO2022090481, Example I-024
CID 163273392
WO2022090481, Example I-175
CID 163273545
WO2022090481, Example I-209
CID 163273780
WO2022090481, Example I-159
CID 164514231
WO2022090481, Example I-161
CID 164514233
WO2022090481, Example I-165
CID 164514235

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 159202855) is 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)cc12.CC(F)(F)c1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.FC(F)(F)COc1ccc(-c2ccn3nccc3c2)cn1.Fc1cc(-c2ccn3ncc(C(F)(F)F)c3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The InChIKey is KPMWNOAQADPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O.C15H11F5N4O.C14H7F7N4O.C14H10F3N3O/c1-15(17,18)12-8-23-24-5-4-10(6-13(12)24)11-2-3-14(22-7-11)25-9-16(19,20)21;1-14(16,17)10-7-22-24-5-4-11(23-13(10)24)9-2-3-12(21-6-9)25-8-15(18,19)20;15-9-3-7(4-22-12(9)26-6-13(16,17)18)10-1-2-25-11(24-10)8(5-23-25)14(19,20)21;15-14(16,17)9-21-13-2-1-11(8-18-13)10-4-6-20-12(7-10)3-5-19-20/h2-8H,9H2,1H3;2-7H,8H2,1H3;1-5H,6H2;1-8H,9H2.
What are the key properties of 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 1389.02 g/mol, XLogP of 15.52, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159202855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).