2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone

C156H162F3N23O5 — CID 161036459

IUPAC2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone
SMILESCC1CCN(Cc2ccc(C(=O)Cc3cncc(Cc4nccc(-c5ccccc5)n4)c3)cc2)CC1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1.Cc1ncc(CC(=O)c2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1Cc1nccc(-c2ccccc2)n1
InChIInChI=1S/C32H31F3N4O.3C31H33N5O.C31H32N4O/c1-22-27(19-31-36-13-12-29(38-31)24-8-4-2-5-9-24)16-23(20-37-22)17-30(40)25-10-11-26(28(18-25)32(33,34)35)21-39-14-6-3-7-15-39;1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26;1-23-12-15-35(16-13-23)22-24-7-9-28(10-8-24)30(36)18-25-17-26(21-32-20-25)19-31-33-14-11-29(34-31)27-5-3-2-4-6-27/h2,4-5,8-13,16,18,20H,3,6-7,14-15,17,19,21H2,1H3;3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37);2-11,14,17,20-21,23H,12-13,15-16,18-19,22H2,1H3
InChIKeyUAHVDYPAXXAMIN-UHFFFAOYSA-N
MW2496.16 g/mol
LogP30.42
Rot. Bonds37

About 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone

2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone (PubChem CID 161036459) has the molecular formula C156H162F3N23O5 and a molecular weight of 2496.16 g/mol. Its IUPAC name is 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone
PubChem CID161036459
Molecular FormulaC156H162F3N23O5
Molecular Weight2496.16 g/mol
Exact Mass2494.31
IUPAC Name2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone
SMILESCC1CCN(Cc2ccc(C(=O)Cc3cncc(Cc4nccc(-c5ccccc5)n4)c3)cc2)CC1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1.Cc1ncc(CC(=O)c2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1Cc1nccc(-c2ccccc2)n1
InChIInChI=1S/C32H31F3N4O.3C31H33N5O.C31H32N4O/c1-22-27(19-31-36-13-12-29(38-31)24-8-4-2-5-9-24)16-23(20-37-22)17-30(40)25-10-11-26(28(18-25)32(33,34)35)21-39-14-6-3-7-15-39;1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26;1-23-12-15-35(16-13-23)22-24-7-9-28(10-8-24)30(36)18-25-17-26(21-32-20-25)19-31-33-14-11-29(34-31)27-5-3-2-4-6-27/h2,4-5,8-13,16,18,20H,3,6-7,14-15,17,19,21H2,1H3;3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37);2-11,14,17,20-21,23H,12-13,15-16,18-19,22H2,1H3
InChIKeyUAHVDYPAXXAMIN-UHFFFAOYSA-N
XLogP30.42
TPSA330.99 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.16
LogP ≤ 530.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone (CID 161036459) is 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone is CC1CCN(Cc2ccc(C(=O)Cc3cncc(Cc4nccc(-c5ccccc5)n4)c3)cc2)CC1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)ccn3)n2)c1.Cc1cccc(-c2ccnc(Cc3cncc(C(=O)Nc4ccc(CN5CCC(C)CC5)cc4)c3)n2)c1.Cc1cnc(Cc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1.Cc1ncc(CC(=O)c2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1Cc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone?
The InChIKey is UAHVDYPAXXAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O.3C31H33N5O.C31H32N4O/c1-22-27(19-31-36-13-12-29(38-31)24-8-4-2-5-9-24)16-23(20-37-22)17-30(40)25-10-11-26(28(18-25)32(33,34)35)21-39-14-6-3-7-15-39;1-22-12-16-36(17-13-22)21-24-6-8-27(9-7-24)34-31(37)26-10-14-32-28(19-26)20-30-33-15-11-29(35-30)25-5-3-4-23(2)18-25;1-22-11-14-36(15-12-22)21-24-6-8-28(9-7-24)34-31(37)27-17-25(19-32-20-27)18-30-33-13-10-29(35-30)26-5-3-4-23(2)16-26;1-22-12-14-36(15-13-22)21-24-8-10-28(11-9-24)34-31(37)27-16-25(19-32-20-27)17-29-33-18-23(2)30(35-29)26-6-4-3-5-7-26;1-23-12-15-35(16-13-23)22-24-7-9-28(10-8-24)30(36)18-25-17-26(21-32-20-25)19-31-33-14-11-29(34-31)27-5-3-2-4-6-27/h2,4-5,8-13,16,18,20H,3,6-7,14-15,17,19,21H2,1H3;3-11,14-15,18-19,22H,12-13,16-17,20-21H2,1-2H3,(H,34,37);3-10,13,16-17,19-20,22H,11-12,14-15,18,21H2,1-2H3,(H,34,37);3-11,16,18-20,22H,12-15,17,21H2,1-2H3,(H,34,37);2-11,14,17,20-21,23H,12-13,15-16,18-19,22H2,1H3.
What are the key properties of 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone?
2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone has a molecular weight of 2496.16 g/mol, XLogP of 30.42, 37 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;2-[6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]-1-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[5-[(4-phenylpyrimidin-2-yl)methyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 161036459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).