6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C25H28F3N7O — CID 162587612

IUPAC6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nccc1CCOc1ccc(C2CC23CCN(C2=Nn4c(nnc4C(F)(F)F)CC2)CC3)cc1
InChIInChI=1S/C25H28F3N7O/c1-33-18(8-12-29-33)9-15-36-19-4-2-17(3-5-19)20-16-24(20)10-13-34(14-11-24)22-7-6-21-30-31-23(25(26,27)28)35(21)32-22/h2-5,8,12,20H,6-7,9-11,13-16H2,1H3
InChIKeyLODMCCCIBCORDP-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.03
Rot. Bonds5

About 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 162587612) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID162587612
Molecular FormulaC25H28F3N7O
Molecular Weight499.54 g/mol
Exact Mass499.23
IUPAC Name6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nccc1CCOc1ccc(C2CC23CCN(C2=Nn4c(nnc4C(F)(F)F)CC2)CC3)cc1
InChIInChI=1S/C25H28F3N7O/c1-33-18(8-12-29-33)9-15-36-19-4-2-17(3-5-19)20-16-24(20)10-13-34(14-11-24)22-7-6-21-30-31-23(25(26,27)28)35(21)32-22/h2-5,8,12,20H,6-7,9-11,13-16H2,1H3
InChIKeyLODMCCCIBCORDP-UHFFFAOYSA-N
XLogP4.03
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 162587612) is 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is Cn1nccc1CCOc1ccc(C2CC23CCN(C2=Nn4c(nnc4C(F)(F)F)CC2)CC3)cc1.
What is the InChIKey of 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LODMCCCIBCORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O/c1-33-18(8-12-29-33)9-15-36-19-4-2-17(3-5-19)20-16-24(20)10-13-34(14-11-24)22-7-6-21-30-31-23(25(26,27)28)35(21)32-22/h2-5,8,12,20H,6-7,9-11,13-16H2,1H3.
What are the key properties of 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 499.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-6-azaspiro[2.5]octan-6-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 162587612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).