2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine

C19H20F3N3O5 — CID 171557387

IUPAC2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](Oc1cccc(C(F)(F)F)n1)CO[C@@H]2COc1cnccn1
InChIInChI=1S/C19H20F3N3O5/c1-18(2)29-16-11(9-27-15-8-23-6-7-24-15)26-10-12(17(16)30-18)28-14-5-3-4-13(25-14)19(20,21)22/h3-8,11-12,16-17H,9-10H2,1-2H3/t11-,12+,16+,17-/m1/s1
InChIKeyQRLSEHTUOQYLAF-FCLUMBPUSA-N
MW427.38 g/mol
LogP2.64
Rot. Bonds5

About 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine

2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine (PubChem CID 171557387) has the molecular formula C19H20F3N3O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine
PubChem CID171557387
Molecular FormulaC19H20F3N3O5
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](Oc1cccc(C(F)(F)F)n1)CO[C@@H]2COc1cnccn1
InChIInChI=1S/C19H20F3N3O5/c1-18(2)29-16-11(9-27-15-8-23-6-7-24-15)26-10-12(17(16)30-18)28-14-5-3-4-13(25-14)19(20,21)22/h3-8,11-12,16-17H,9-10H2,1-2H3/t11-,12+,16+,17-/m1/s1
InChIKeyQRLSEHTUOQYLAF-FCLUMBPUSA-N
XLogP2.64
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine with MolForge

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Related Compounds

2-[Difluoro-(6-fluorooxan-3-yl)oxymethyl]-5-[difluoro-(5-pentyl-1,3-dioxan-2-yl)methoxy]pyridine
CID 89850346
2-[Difluoro-(6-fluorooxan-3-yl)oxymethyl]-5-[difluoro-(5-methyl-1,3-dioxan-2-yl)methoxy]pyridine
CID 89851255
2-(2,2-Difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
CID 142379196
6-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 156379136
7-fluoro-6-[[(2S,4R)-2-methyl-4-(6-methylpyrazin-2-yl)oxypyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 156379251
7-fluoro-6-[[(2S,4R)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 156379416
7-fluoro-6-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 156379435
7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 156738718
2-(2,2-Difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine
CID 157410289
2-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-6-(2-pyridin-4-ylethynyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyridine
CID 171556623
2-[[(3aS,4R,6S,7S,7aR)-2,2,4-trimethyl-6-pyridin-2-yl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyridine
CID 171556897
lithium (Z)-N-[1-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy]ethenyl]prop-2-en-1-imine
CID 171557076

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine?
The IUPAC name of 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine (CID 171557387) is 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine is CC1(C)O[C@@H]2[C@H](O1)[C@@H](Oc1cccc(C(F)(F)F)n1)CO[C@@H]2COc1cnccn1.
What is the InChIKey of 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine?
The InChIKey is QRLSEHTUOQYLAF-FCLUMBPUSA-N. The full InChI is InChI=1S/C19H20F3N3O5/c1-18(2)29-16-11(9-27-15-8-23-6-7-24-15)26-10-12(17(16)30-18)28-14-5-3-4-13(25-14)19(20,21)22/h3-8,11-12,16-17H,9-10H2,1-2H3/t11-,12+,16+,17-/m1/s1.
What are the key properties of 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine?
2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine has a molecular weight of 427.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine is sourced from PubChem (CID 171557387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).