N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide

C23H29F3N6O3 — CID 91488403

IUPACN-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C23H29F3N6O3/c1-15(21(33)27-11-14-34-2)35-18-5-3-16(4-6-18)17-9-12-31(13-10-17)20-8-7-19-28-29-22(23(24,25)26)32(19)30-20/h3-6,15,17H,7-14H2,1-2H3,(H,27,33)
InChIKeyRAZLPXOLTVTQRJ-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.81
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide

N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide (PubChem CID 91488403) has the molecular formula C23H29F3N6O3 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide
PubChem CID91488403
Molecular FormulaC23H29F3N6O3
Molecular Weight494.52 g/mol
Exact Mass494.23
IUPAC NameN-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C23H29F3N6O3/c1-15(21(33)27-11-14-34-2)35-18-5-3-16(4-6-18)17-9-12-31(13-10-17)20-8-7-19-28-29-22(23(24,25)26)32(19)30-20/h3-6,15,17H,7-14H2,1-2H3,(H,27,33)
InChIKeyRAZLPXOLTVTQRJ-UHFFFAOYSA-N
XLogP2.81
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide with MolForge

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
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N-(2-methoxyethyl)-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683568
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide
CID 71801308
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide (CID 91488403) is N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide is COCCNC(=O)C(C)Oc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide?
The InChIKey is RAZLPXOLTVTQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O3/c1-15(21(33)27-11-14-34-2)35-18-5-3-16(4-6-18)17-9-12-31(13-10-17)20-8-7-19-28-29-22(23(24,25)26)32(19)30-20/h3-6,15,17H,7-14H2,1-2H3,(H,27,33).
What are the key properties of N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide?
N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide has a molecular weight of 494.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]propanamide is sourced from PubChem (CID 91488403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).