[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

C23H17F4N5O2 — CID 139504737

IUPAC[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESO=C(c1cccnc1-c1ncc(F)cn1)N1CC2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13
InChIInChI=1S/C23H17F4N5O2/c24-14-9-30-20(31-10-14)18-15(2-1-5-28-18)21(33)32-11-13-6-22(13)7-16(19(22)32)34-17-4-3-12(8-29-17)23(25,26)27/h1-5,8-10,13,16,19H,6-7,11H2
InChIKeyAROIHAFKPCTRHQ-UHFFFAOYSA-N
MW471.41 g/mol
LogP3.77
Rot. Bonds4

About [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (PubChem CID 139504737) has the molecular formula C23H17F4N5O2 and a molecular weight of 471.41 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
PubChem CID139504737
Molecular FormulaC23H17F4N5O2
Molecular Weight471.41 g/mol
Exact Mass471.13
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESO=C(c1cccnc1-c1ncc(F)cn1)N1CC2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13
InChIInChI=1S/C23H17F4N5O2/c24-14-9-30-20(31-10-14)18-15(2-1-5-28-18)21(33)32-11-13-6-22(13)7-16(19(22)32)34-17-4-3-12(8-29-17)23(25,26)27/h1-5,8-10,13,16,19H,6-7,11H2
InChIKeyAROIHAFKPCTRHQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-pyridin-3-ylphenyl)-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504344
[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876746
[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504462
[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 123753312
[2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504831
[7-[(5-bromo-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 139504471
[3-[amino-[(Z)-2-aminoethenyl]amino]-5-methyl-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504510
[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702430
[2-(1,3-thiazol-2-yl)-3-pyridinyl]-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876766
[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504885
[2-(triazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504568
(5-methyl-2-pyrimidin-2-yl-3-pyridinyl)-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876530

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (CID 139504737) is [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is O=C(c1cccnc1-c1ncc(F)cn1)N1CC2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The InChIKey is AROIHAFKPCTRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O2/c24-14-9-30-20(31-10-14)18-15(2-1-5-28-18)21(33)32-11-13-6-22(13)7-16(19(22)32)34-17-4-3-12(8-29-17)23(25,26)27/h1-5,8-10,13,16,19H,6-7,11H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone has a molecular weight of 471.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is sourced from PubChem (CID 139504737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).