3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

C23H25F2N7O2 — CID 167438737

IUPAC3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCNC(=O)C1C2CN(c3ccc(OCc4c(C)nnn4-c4ccc(C(F)F)cc4)nn3)CC21
InChIInChI=1S/C23H25F2N7O2/c1-3-26-23(33)21-16-10-31(11-17(16)21)19-8-9-20(29-28-19)34-12-18-13(2)27-30-32(18)15-6-4-14(5-7-15)22(24)25/h4-9,16-17,21-22H,3,10-12H2,1-2H3,(H,26,33)
InChIKeyFTSCXIJNTASHFO-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.70
Rot. Bonds8

About 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167438737) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167438737
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCNC(=O)C1C2CN(c3ccc(OCc4c(C)nnn4-c4ccc(C(F)F)cc4)nn3)CC21
InChIInChI=1S/C23H25F2N7O2/c1-3-26-23(33)21-16-10-31(11-17(16)21)19-8-9-20(29-28-19)34-12-18-13(2)27-30-32(18)15-6-4-14(5-7-15)22(24)25/h4-9,16-17,21-22H,3,10-12H2,1-2H3,(H,26,33)
InChIKeyFTSCXIJNTASHFO-UHFFFAOYSA-N
XLogP2.70
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 167438737) is 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is CCNC(=O)C1C2CN(c3ccc(OCc4c(C)nnn4-c4ccc(C(F)F)cc4)nn3)CC21.
What is the InChIKey of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FTSCXIJNTASHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-3-26-23(33)21-16-10-31(11-17(16)21)19-8-9-20(29-28-19)34-12-18-13(2)27-30-32(18)15-6-4-14(5-7-15)22(24)25/h4-9,16-17,21-22H,3,10-12H2,1-2H3,(H,26,33).
What are the key properties of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167438737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).