2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone

C196H180N10O21S — CID 161437056

IUPAC2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccccn5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccs5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccncc5)cc4)cc3)cc2)CC1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccco3)cc2)cc1)c1ccc(N2CCOCC2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/2C34H32N2O3.C33H29NO4.C33H31NO3S.C31H29N3O3.C31H27NO5/c1-24-16-20-36(21-17-24)31-12-10-27(11-13-31)32(37)22-25-2-6-29(7-3-25)34(39)30-8-4-26(5-9-30)23-33(38)28-14-18-35-19-15-28;1-24-17-20-36(21-18-24)30-15-13-27(14-16-30)32(37)22-25-5-9-28(10-6-25)34(39)29-11-7-26(8-12-29)23-33(38)31-4-2-3-19-35-31;35-31(26-4-2-1-3-5-26)22-24-6-10-28(11-7-24)33(37)29-12-8-25(9-13-29)23-32(36)27-14-16-30(17-15-27)34-18-20-38-21-19-34;1-23-16-18-34(19-17-23)29-14-12-26(13-15-29)30(35)21-24-4-8-27(9-5-24)33(37)28-10-6-25(7-11-28)22-31(36)32-3-2-20-38-32;35-29(24-12-14-28(15-13-24)34-16-2-1-3-17-34)18-22-4-8-25(9-5-22)31(37)26-10-6-23(7-11-26)19-30(36)27-20-32-33-21-27;33-28(24-11-13-27(14-12-24)32-15-18-36-19-16-32)20-22-3-7-25(8-4-22)31(35)26-9-5-23(6-10-26)21-29(34)30-2-1-17-37-30/h2-15,18-19,24H,16-17,20-23H2,1H3;2-16,19,24H,17-18,20-23H2,1H3;1-17H,18-23H2;2-15,20,23H,16-19,21-22H2,1H3;4-15,20-21H,1-3,16-19H2,(H,32,33);1-14,17H,15-16,18-21H2
InChIKeyVYUACLRBFQRJEU-UHFFFAOYSA-N
MW3043.71 g/mol
LogP36.15
Rot. Bonds54

About 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone

2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone (PubChem CID 161437056) has the molecular formula C196H180N10O21S and a molecular weight of 3043.71 g/mol. Its IUPAC name is 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone
PubChem CID161437056
Molecular FormulaC196H180N10O21S
Molecular Weight3043.71 g/mol
Exact Mass3041.30
IUPAC Name2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccccn5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccs5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccncc5)cc4)cc3)cc2)CC1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccco3)cc2)cc1)c1ccc(N2CCOCC2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/2C34H32N2O3.C33H29NO4.C33H31NO3S.C31H29N3O3.C31H27NO5/c1-24-16-20-36(21-17-24)31-12-10-27(11-13-31)32(37)22-25-2-6-29(7-3-25)34(39)30-8-4-26(5-9-30)23-33(38)28-14-18-35-19-15-28;1-24-17-20-36(21-18-24)30-15-13-27(14-16-30)32(37)22-25-5-9-28(10-6-25)34(39)29-11-7-26(8-12-29)23-33(38)31-4-2-3-19-35-31;35-31(26-4-2-1-3-5-26)22-24-6-10-28(11-7-24)33(37)29-12-8-25(9-13-29)23-32(36)27-14-16-30(17-15-27)34-18-20-38-21-19-34;1-23-16-18-34(19-17-23)29-14-12-26(13-15-29)30(35)21-24-4-8-27(9-5-24)33(37)28-10-6-25(7-11-28)22-31(36)32-3-2-20-38-32;35-29(24-12-14-28(15-13-24)34-16-2-1-3-17-34)18-22-4-8-25(9-5-22)31(37)26-10-6-23(7-11-26)19-30(36)27-20-32-33-21-27;33-28(24-11-13-27(14-12-24)32-15-18-36-19-16-32)20-22-3-7-25(8-4-22)31(35)26-9-5-23(6-10-26)21-29(34)30-2-1-17-37-30/h2-15,18-19,24H,16-17,20-23H2,1H3;2-16,19,24H,17-18,20-23H2,1H3;1-17H,18-23H2;2-15,20,23H,16-19,21-22H2,1H3;4-15,20-21H,1-3,16-19H2,(H,32,33);1-14,17H,15-16,18-21H2
InChIKeyVYUACLRBFQRJEU-UHFFFAOYSA-N
XLogP36.15
TPSA412.76 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds54
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003043.71
LogP ≤ 536.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone with MolForge

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Related Compounds

6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;6-(furan-3-yl)pyridine-2-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(trifluoromethyl)thiophen-2-yl]pyridine-3-carbaldehyde
CID 159638819
2-(1-benzofuran-2-yl)-6-ethenylpyridine;2-[3-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-3-carbaldehyde;2-ethenyl-6-(furan-2-yl)pyridine;2-ethenyl-6-(furan-3-yl)pyridine;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 162168779
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-3-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 157233926
CID 157502726
CID 157502726
2-[4-[4-[2-(5-methyl-1H-pyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(3-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-(4-methylthiophen-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-pyrimidin-5-ylethyl)benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone;2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]-1-(4-propoxyphenyl)ethanone
CID 159376967
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);furan-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(2H-pyrrol-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 159479057
1-(furan-2-yl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indazol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 159682733
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);cyclopentyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-3-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 160310709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone (CID 161437056) is 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone is CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccccn5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccs5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccncc5)cc4)cc3)cc2)CC1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccco3)cc2)cc1)c1ccc(N2CCOCC2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3cn[nH]c3)cc2)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone?
The InChIKey is VYUACLRBFQRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H32N2O3.C33H29NO4.C33H31NO3S.C31H29N3O3.C31H27NO5/c1-24-16-20-36(21-17-24)31-12-10-27(11-13-31)32(37)22-25-2-6-29(7-3-25)34(39)30-8-4-26(5-9-30)23-33(38)28-14-18-35-19-15-28;1-24-17-20-36(21-18-24)30-15-13-27(14-16-30)32(37)22-25-5-9-28(10-6-25)34(39)29-11-7-26(8-12-29)23-33(38)31-4-2-3-19-35-31;35-31(26-4-2-1-3-5-26)22-24-6-10-28(11-7-24)33(37)29-12-8-25(9-13-29)23-32(36)27-14-16-30(17-15-27)34-18-20-38-21-19-34;1-23-16-18-34(19-17-23)29-14-12-26(13-15-29)30(35)21-24-4-8-27(9-5-24)33(37)28-10-6-25(7-11-28)22-31(36)32-3-2-20-38-32;35-29(24-12-14-28(15-13-24)34-16-2-1-3-17-34)18-22-4-8-25(9-5-22)31(37)26-10-6-23(7-11-26)19-30(36)27-20-32-33-21-27;33-28(24-11-13-27(14-12-24)32-15-18-36-19-16-32)20-22-3-7-25(8-4-22)31(35)26-9-5-23(6-10-26)21-29(34)30-2-1-17-37-30/h2-15,18-19,24H,16-17,20-23H2,1H3;2-16,19,24H,17-18,20-23H2,1H3;1-17H,18-23H2;2-15,20,23H,16-19,21-22H2,1H3;4-15,20-21H,1-3,16-19H2,(H,32,33);1-14,17H,15-16,18-21H2.
What are the key properties of 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone?
2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone has a molecular weight of 3043.71 g/mol, XLogP of 36.15, 54 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(furan-2-yl)-2-oxoethyl]benzoyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-2-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-pyridin-4-ylethyl)benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone;2-[4-[4-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]benzoyl]phenyl]-1-phenylethanone;2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]-1-(4-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 161437056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).