2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine

C25H24F3N3O2 — CID 141278698

IUPAC2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine
SMILESCC1(c2ccccn2)C(c2ccccn2)(C2CCCCO2)OC1(c1ccccn1)C(F)(F)F
InChIInChI=1S/C25H24F3N3O2/c1-22(18-10-2-6-14-29-18)23(19-11-3-7-15-30-19,21-13-5-9-17-32-21)33-24(22,25(26,27)28)20-12-4-8-16-31-20/h2-4,6-8,10-12,14-16,21H,5,9,13,17H2,1H3
InChIKeyYKSXVKDDHNYPLO-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.08
Rot. Bonds4

About 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine

2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine (PubChem CID 141278698) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine.

Molecular Properties

Compound Name2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine
PubChem CID141278698
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine
SMILESCC1(c2ccccn2)C(c2ccccn2)(C2CCCCO2)OC1(c1ccccn1)C(F)(F)F
InChIInChI=1S/C25H24F3N3O2/c1-22(18-10-2-6-14-29-18)23(19-11-3-7-15-30-19,21-13-5-9-17-32-21)33-24(22,25(26,27)28)20-12-4-8-16-31-20/h2-4,6-8,10-12,14-16,21H,5,9,13,17H2,1H3
InChIKeyYKSXVKDDHNYPLO-UHFFFAOYSA-N
XLogP5.08
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine with MolForge

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Related Compounds

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(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419557
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97423046
3-[(R)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
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CID 132280725
2-[(4-Phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
CID 24800225
2-[(1-Methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
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1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 71233567
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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine?
The IUPAC name of 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine (CID 141278698) is 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine.
What is the SMILES notation for 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine?
The canonical SMILES for 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine is CC1(c2ccccn2)C(c2ccccn2)(C2CCCCO2)OC1(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine?
The InChIKey is YKSXVKDDHNYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c1-22(18-10-2-6-14-29-18)23(19-11-3-7-15-30-19,21-13-5-9-17-32-21)33-24(22,25(26,27)28)20-12-4-8-16-31-20/h2-4,6-8,10-12,14-16,21H,5,9,13,17H2,1H3.
What are the key properties of 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine?
2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine has a molecular weight of 455.48 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(oxan-2-yl)-2,4-dipyridin-2-yl-4-(trifluoromethyl)oxetan-3-yl]pyridine is sourced from PubChem (CID 141278698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).