2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone

C157H153F8N17O5 — CID 161288601

IUPAC2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(F)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/2C32H30F3N3O.C31H29F2N3O.C31H33N5O.C31H31N3O/c33-32(34,35)28-9-5-8-27(21-28)29-14-15-36-31(37-29)20-25-7-4-6-24(18-25)19-30(39)26-12-10-23(11-13-26)22-38-16-2-1-3-17-38;33-32(34,35)28-13-11-26(12-14-28)29-15-16-36-31(37-29)21-25-6-4-5-24(19-25)20-30(39)27-9-7-23(8-10-27)22-38-17-2-1-3-18-38;32-27-9-5-8-26(31(27)33)28-14-15-34-30(35-28)20-24-7-4-6-23(18-24)19-29(37)25-12-10-22(11-13-25)21-36-16-2-1-3-17-36;1-23-8-11-26(20-27(23)21-30-32-15-14-29(34-30)25-6-4-3-5-7-25)31(37)33-28-12-9-24(10-13-28)22-36-18-16-35(2)17-19-36;35-30(28-14-12-24(13-15-28)23-34-18-5-2-6-19-34)21-25-8-7-9-26(20-25)22-31-32-17-16-29(33-31)27-10-3-1-4-11-27/h4-15,18,21H,1-3,16-17,19-20,22H2;4-16,19H,1-3,17-18,20-22H2;4-15,18H,1-3,16-17,19-21H2;3-15,20H,16-19,21-22H2,1-2H3,(H,33,37);1,3-4,7-17,20H,2,5-6,18-19,21-23H2
InChIKeyVGAYYGHRWAQSSP-UHFFFAOYSA-N
MW2510.05 g/mol
LogP31.94
Rot. Bonds39

About 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone

2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone (PubChem CID 161288601) has the molecular formula C157H153F8N17O5 and a molecular weight of 2510.05 g/mol. Its IUPAC name is 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone
PubChem CID161288601
Molecular FormulaC157H153F8N17O5
Molecular Weight2510.05 g/mol
Exact Mass2508.21
IUPAC Name2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(F)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/2C32H30F3N3O.C31H29F2N3O.C31H33N5O.C31H31N3O/c33-32(34,35)28-9-5-8-27(21-28)29-14-15-36-31(37-29)20-25-7-4-6-24(18-25)19-30(39)26-12-10-23(11-13-26)22-38-16-2-1-3-17-38;33-32(34,35)28-13-11-26(12-14-28)29-15-16-36-31(37-29)21-25-6-4-5-24(19-25)20-30(39)27-9-7-23(8-10-27)22-38-17-2-1-3-18-38;32-27-9-5-8-26(31(27)33)28-14-15-34-30(35-28)20-24-7-4-6-23(18-24)19-29(37)25-12-10-22(11-13-25)21-36-16-2-1-3-17-36;1-23-8-11-26(20-27(23)21-30-32-15-14-29(34-30)25-6-4-3-5-7-25)31(37)33-28-12-9-24(10-13-28)22-36-18-16-35(2)17-19-36;35-30(28-14-12-24(13-15-28)23-34-18-5-2-6-19-34)21-25-8-7-9-26(20-25)22-31-32-17-16-29(33-31)27-10-3-1-4-11-27/h4-15,18,21H,1-3,16-17,19-20,22H2;4-16,19H,1-3,17-18,20-22H2;4-15,18H,1-3,16-17,19-21H2;3-15,20H,16-19,21-22H2,1-2H3,(H,33,37);1,3-4,7-17,20H,2,5-6,18-19,21-23H2
InChIKeyVGAYYGHRWAQSSP-UHFFFAOYSA-N
XLogP31.94
TPSA245.72 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002510.05
LogP ≤ 531.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone with MolForge

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Related Compounds

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4-[[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
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4-[[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The IUPAC name of 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone (CID 161288601) is 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The canonical SMILES for 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nccc(-c3ccc(C(F)(F)F)cc3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(C(F)(F)F)c3)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3cccc(F)c3F)n2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Cc1cccc(Cc2nccc(-c3ccccc3)n2)c1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The InChIKey is VGAYYGHRWAQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30F3N3O.C31H29F2N3O.C31H33N5O.C31H31N3O/c33-32(34,35)28-9-5-8-27(21-28)29-14-15-36-31(37-29)20-25-7-4-6-24(18-25)19-30(39)26-12-10-23(11-13-26)22-38-16-2-1-3-17-38;33-32(34,35)28-13-11-26(12-14-28)29-15-16-36-31(37-29)21-25-6-4-5-24(19-25)20-30(39)27-9-7-23(8-10-27)22-38-17-2-1-3-18-38;32-27-9-5-8-26(31(27)33)28-14-15-34-30(35-28)20-24-7-4-6-23(18-24)19-29(37)25-12-10-22(11-13-25)21-36-16-2-1-3-17-36;1-23-8-11-26(20-27(23)21-30-32-15-14-29(34-30)25-6-4-3-5-7-25)31(37)33-28-12-9-24(10-13-28)22-36-18-16-35(2)17-19-36;35-30(28-14-12-24(13-15-28)23-34-18-5-2-6-19-34)21-25-8-7-9-26(20-25)22-31-32-17-16-29(33-31)27-10-3-1-4-11-27/h4-15,18,21H,1-3,16-17,19-20,22H2;4-16,19H,1-3,17-18,20-22H2;4-15,18H,1-3,16-17,19-21H2;3-15,20H,16-19,21-22H2,1-2H3,(H,33,37);1,3-4,7-17,20H,2,5-6,18-19,21-23H2.
What are the key properties of 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone has a molecular weight of 2510.05 g/mol, XLogP of 31.94, 39 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 161288601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).