5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine

C24H29F3N2O5 — CID 123799238

IUPAC5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCOc1cc(CN2CCC3(c4ccccn4)OC(C)(C)OC3C2)ccc1OCCOC(F)(F)F
InChIInChI=1S/C24H29F3N2O5/c1-22(2)33-21-16-29(11-9-23(21,34-22)20-6-4-5-10-28-20)15-17-7-8-18(19(14-17)30-3)31-12-13-32-24(25,26)27/h4-8,10,14,21H,9,11-13,15-16H2,1-3H3
InChIKeyRVCXVWJIUBNYHK-UHFFFAOYSA-N
MW482.50 g/mol
LogP4.26
Rot. Bonds8

About 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine

5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine (PubChem CID 123799238) has the molecular formula C24H29F3N2O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
PubChem CID123799238
Molecular FormulaC24H29F3N2O5
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC Name5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCOc1cc(CN2CCC3(c4ccccn4)OC(C)(C)OC3C2)ccc1OCCOC(F)(F)F
InChIInChI=1S/C24H29F3N2O5/c1-22(2)33-21-16-29(11-9-23(21,34-22)20-6-4-5-10-28-20)15-17-7-8-18(19(14-17)30-3)31-12-13-32-24(25,26)27/h4-8,10,14,21H,9,11-13,15-16H2,1-3H3
InChIKeyRVCXVWJIUBNYHK-UHFFFAOYSA-N
XLogP4.26
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 9-ethoxy-5,6-dihydro-10-methoxy-
CID 10790783
2-[5-[1-[3-Cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]propan-2-ol
CID 10863652
5-[2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethyl]-3H-pyridin-2-one
CID 44317818
17-Methoxy-16-[[4-(trifluoromethyl)phenyl]methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 162652858
1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 9-(heptyloxy)-5,6-dihydro-10-methoxy-
CID 70681247
3-(3,4-Methylenedioxybenzylidene)anabaseine
CID 10356987
3-{2-(3-Cyclopropyloxy-4-difluoromethoxyphenyl)-2-[2-(2-hydroxypropan-2-yl)5-pyridyl]ethyl}pyridine-N-oxide
CID 44317802
1-pyridin-2-yl-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57404021
1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-7-ium, 5,6-dihydro-10-methoxy-9-(pentyloxy)-
CID 70687580
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanamine
CID 1131786
3-[1-(1,3-Benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 2857326
2-[5-[1-[3-Cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]propan-2-ol
CID 9825288

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine (CID 123799238) is 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine is COc1cc(CN2CCC3(c4ccccn4)OC(C)(C)OC3C2)ccc1OCCOC(F)(F)F.
What is the InChIKey of 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is RVCXVWJIUBNYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O5/c1-22(2)33-21-16-29(11-9-23(21,34-22)20-6-4-5-10-28-20)15-17-7-8-18(19(14-17)30-3)31-12-13-32-24(25,26)27/h4-8,10,14,21H,9,11-13,15-16H2,1-3H3.
What are the key properties of 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 482.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2,2-dimethyl-7a-pyridin-2-yl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 123799238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).