bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C109H110F18N18O6 — CID 159890330

IUPACbis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.O=C(c1cnccn1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/2C19H20F3N3O.3C18H18F3N3O.C17H16F3N3O/c2*1-12-11-13(2)24-17(23-12)18(26)25-9-7-14(8-10-25)15-5-3-4-6-16(15)19(20,21)22;3*1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;18-17(19,20)14-4-2-1-3-13(14)12-5-9-23(10-6-12)16(24)15-11-21-7-8-22-15/h2*3-6,11,14H,7-10H2,1-2H3;3*2-7,13H,8-11H2,1H3;1-4,7-8,11-12H,5-6,9-10H2
InChIKeyNURBDGAEKROZEM-UHFFFAOYSA-N
MW2110.16 g/mol
LogP23.25
Rot. Bonds12

About bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 159890330) has the molecular formula C109H110F18N18O6 and a molecular weight of 2110.16 g/mol. Its IUPAC name is bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID159890330
Molecular FormulaC109H110F18N18O6
Molecular Weight2110.16 g/mol
Exact Mass2108.86
IUPAC Namebis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.O=C(c1cnccn1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/2C19H20F3N3O.3C18H18F3N3O.C17H16F3N3O/c2*1-12-11-13(2)24-17(23-12)18(26)25-9-7-14(8-10-25)15-5-3-4-6-16(15)19(20,21)22;3*1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;18-17(19,20)14-4-2-1-3-13(14)12-5-9-23(10-6-12)16(24)15-11-21-7-8-22-15/h2*3-6,11,14H,7-10H2,1-2H3;3*2-7,13H,8-11H2,1H3;1-4,7-8,11-12H,5-6,9-10H2
InChIKeyNURBDGAEKROZEM-UHFFFAOYSA-N
XLogP23.25
TPSA276.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.16
LogP ≤ 523.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-Fluoro-4-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385796
[3-[[2-[2-[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]-4-methylphenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123233507
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
[5-Fluoro-2-[4-[[1-[6-fluoro-3-methyl-2-(triazol-2-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-3-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123753847
[3-[3-[[(3R)-5,5-difluoro-1-[1-methyl-4-(2-methylphenyl)pyrazole-3-carbonyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-3-yl]methyl]pyridin-2-yl]-6-methylpyridin-2-yl]-[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 130341797
ethane;[5-methyl-2-(1-methylpyrazol-3-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrazin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144903001
3-[4-[1-[[1-[2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
CID 146559793
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]piperidin-1-yl]methanone
CID 149138106
ethane;3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629358
3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629359
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;5-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyridazin-4-ylpyridine-2-carboxamide
CID 157292308

Frequently Asked Questions

What is the IUPAC name of bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 159890330) is bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cc(C)nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.O=C(c1cnccn1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is NURBDGAEKROZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20F3N3O.3C18H18F3N3O.C17H16F3N3O/c2*1-12-11-13(2)24-17(23-12)18(26)25-9-7-14(8-10-25)15-5-3-4-6-16(15)19(20,21)22;3*1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;18-17(19,20)14-4-2-1-3-13(14)12-5-9-23(10-6-12)16(24)15-11-21-7-8-22-15/h2*3-6,11,14H,7-10H2,1-2H3;3*2-7,13H,8-11H2,1H3;1-4,7-8,11-12H,5-6,9-10H2.
What are the key properties of bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2110.16 g/mol, XLogP of 23.25, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 159890330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).