2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine

C23H23ClF3N5O — CID 123473821

IUPAC2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine
SMILESCc1ccc(-c2ncccn2)c(CN2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2C)n1
InChIInChI=1S/C23H23ClF3N5O/c1-14-6-7-17(21-28-8-4-9-29-21)19(31-14)13-32-10-3-5-20(15(32)2)33-22-18(24)11-16(12-30-22)23(25,26)27/h4,6-9,11-12,15,20H,3,5,10,13H2,1-2H3
InChIKeyVSNNYFBSUQKOSI-UHFFFAOYSA-N
MW477.92 g/mol
LogP5.35
Rot. Bonds5

About 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine

2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine (PubChem CID 123473821) has the molecular formula C23H23ClF3N5O and a molecular weight of 477.92 g/mol. Its IUPAC name is 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine
PubChem CID123473821
Molecular FormulaC23H23ClF3N5O
Molecular Weight477.92 g/mol
Exact Mass477.15
IUPAC Name2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine
SMILESCc1ccc(-c2ncccn2)c(CN2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2C)n1
InChIInChI=1S/C23H23ClF3N5O/c1-14-6-7-17(21-28-8-4-9-29-21)19(31-14)13-32-10-3-5-20(15(32)2)33-22-18(24)11-16(12-30-22)23(25,26)27/h4,6-9,11-12,15,20H,3,5,10,13H2,1-2H3
InChIKeyVSNNYFBSUQKOSI-UHFFFAOYSA-N
XLogP5.35
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.92
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine with MolForge

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Related Compounds

7-[(3-Chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70693674
5-(2-chloro-5-(trifluoromethyl)pyridin-3-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76283028
5-(2-chloro-5-(trifluoromethyl)pyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76283029
6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-4-((S)-1-pyridin-2-yl-pyrrolidin-3-yloxy)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
CID 57495350
6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-4-((S)-1-pyrimidin-2-yl-pyrrolidin-3-yloxy)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
CID 57495352
N-[[2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293527
((2S,3R)-3-((5-chloropyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(5-methyl-2-(pyrimidin-2-yl)pyridin-3-yl)methanone
CID 117630101
((2S,3R)-3-((5-chloropyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(5-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117630124
((2S,3R)-3-((5-chloropyridin-2-yl)oxy)-2-methylpiperidin-1-yl)(3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117631021
US10155760, Example 192
CID 118420260
US10196391, Example 116
CID 121455943
5-(4-(2-Chlorophenoxy)-6-morpholinopyridin-2-yl)pyrimidin-2-amine
CID 146177530

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine?
The IUPAC name of 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine (CID 123473821) is 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine is Cc1ccc(-c2ncccn2)c(CN2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2C)n1.
What is the InChIKey of 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine?
The InChIKey is VSNNYFBSUQKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O/c1-14-6-7-17(21-28-8-4-9-29-21)19(31-14)13-32-10-3-5-20(15(32)2)33-22-18(24)11-16(12-30-22)23(25,26)27/h4,6-9,11-12,15,20H,3,5,10,13H2,1-2H3.
What are the key properties of 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine?
2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine has a molecular weight of 477.92 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methyl]-6-methyl-3-pyridinyl]pyrimidine is sourced from PubChem (CID 123473821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).