4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine

C21H19F5N4O2 — CID 174225660

IUPAC4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3OC(F)F)c3cccnc23)CC(C)O1
InChIInChI=1S/C21H19F5N4O2/c1-11-9-30(10-12(2)31-11)19-18-15(4-3-7-27-18)17(28-29-19)14-6-5-13(21(24,25)26)8-16(14)32-20(22)23/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyWKBBVRHCOIPIES-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.93
Rot. Bonds4

About 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine

4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine (PubChem CID 174225660) has the molecular formula C21H19F5N4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine
PubChem CID174225660
Molecular FormulaC21H19F5N4O2
Molecular Weight454.40 g/mol
Exact Mass454.14
IUPAC Name4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3OC(F)F)c3cccnc23)CC(C)O1
InChIInChI=1S/C21H19F5N4O2/c1-11-9-30(10-12(2)31-11)19-18-15(4-3-7-27-18)17(28-29-19)14-6-5-13(21(24,25)26)8-16(14)32-20(22)23/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyWKBBVRHCOIPIES-UHFFFAOYSA-N
XLogP4.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylphthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171104180
2-[4-[(2S)-2,6-dimethylmorpholin-4-yl]-8-methylphthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 174315304
(3S)-4,4-difluoro-1-[5-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]pyrrolidin-3-ol
CID 171104152
3-ethyl-1-[5-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]pyrrolidin-3-ol
CID 171104178
4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-1-amine
CID 171852287
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852361
2-[8-[(5S)-1-oxa-7-azaspiro[4.4]nonan-7-yl]pyrido[2,3-d]pyridazin-5-yl]-5-(trifluoromethyl)phenol
CID 171104216
2-[8-(1-oxa-7-azaspiro[4.4]nonan-7-yl)pyrido[2,3-d]pyridazin-5-yl]-5-(trifluoromethyl)phenol
CID 174225654
(3R)-1-[5-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-3-phenylpyrrolidin-3-ol
CID 171104141
2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
CID 6414356
1-[(2S)-2,6-dimethyloxan-4-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phthalazine
CID 174315556
2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171104169

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine (CID 174225660) is 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine is CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3OC(F)F)c3cccnc23)CC(C)O1.
What is the InChIKey of 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine?
The InChIKey is WKBBVRHCOIPIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4O2/c1-11-9-30(10-12(2)31-11)19-18-15(4-3-7-27-18)17(28-29-19)14-6-5-13(21(24,25)26)8-16(14)32-20(22)23/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine?
4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine has a molecular weight of 454.40 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 174225660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).