(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C23H20F3N5O2 — CID 75282278

IUPAC(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESO=C(c1ncccc1-c1ncccn1)N1CC2CC2CC1COc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-8-27-19(11-16)33-13-17-10-14-9-15(14)12-31(17)22(32)20-18(3-1-5-28-20)21-29-6-2-7-30-21/h1-8,11,14-15,17H,9-10,12-13H2
InChIKeyZHRCXRMNFGAUEJ-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.88
Rot. Bonds5

About (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 75282278) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID75282278
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESO=C(c1ncccc1-c1ncccn1)N1CC2CC2CC1COc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-8-27-19(11-16)33-13-17-10-14-9-15(14)12-31(17)22(32)20-18(3-1-5-28-20)21-29-6-2-7-30-21/h1-8,11,14-15,17H,9-10,12-13H2
InChIKeyZHRCXRMNFGAUEJ-UHFFFAOYSA-N
XLogP3.88
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 57414484
[4-[(4,6-dichloro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 75281751
(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 70213191
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
[(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 173382236
[(2S,5S)-2-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxymethyl]-5-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 51001106
[6-methyl-3-(5-methylpyrimidin-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 59363724
(5-methyl-6-pyrimidin-2-yl-2-pyridinyl)-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 75152437
pyrimidin-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738519
(3-pyrimidin-2-yl-2-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118876901
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 75598286
1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one
CID 126954982

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 75282278) is (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is O=C(c1ncccc1-c1ncccn1)N1CC2CC2CC1COc1cc(C(F)(F)F)ccn1.
What is the InChIKey of (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is ZHRCXRMNFGAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)16-4-8-27-19(11-16)33-13-17-10-14-9-15(14)12-31(17)22(32)20-18(3-1-5-28-20)21-29-6-2-7-30-21/h1-8,11,14-15,17H,9-10,12-13H2.
What are the key properties of (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 455.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 75282278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).