2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C148H120F6N14O5S — CID 159606797

IUPAC2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cc5ccccc5s4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccnc4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4ccncc4)c4c(n3)CC=C4)c2)c1
InChIInChI=1S/C33H27NOS.2C30H26N2O.C28H21F3N4O.C27H20F3N5O/c1-21-7-5-9-24(15-21)31(35)17-23-14-13-22(2)26(16-23)18-27-20-29(28-10-6-11-30(28)34-27)33-19-25-8-3-4-12-32(25)36-33;1-20-6-3-7-23(14-20)30(33)16-22-12-11-21(2)25(15-22)17-26-18-28(24-8-5-13-31-19-24)27-9-4-10-29(27)32-26;1-20-5-3-6-24(15-20)30(33)17-22-10-9-21(2)25(16-22)18-26-19-28(23-11-13-31-14-12-23)27-7-4-8-29(27)32-26;1-17-10-11-18(14-25(36)19-5-2-7-21(15-19)28(29,30)31)13-24(17)34-27-22-8-3-9-23(22)33-26(35-27)20-6-4-12-32-16-20;1-16-10-11-17(26(36)32-20-7-2-6-19(14-20)27(28,29)30)13-23(16)34-25-21-8-3-9-22(21)33-24(35-25)18-5-4-12-31-15-18/h3-10,12-16,19-20H,11,17-18H2,1-2H3;3-9,11-15,18-19H,10,16-17H2,1-2H3;3-7,9-16,19H,8,17-18H2,1-2H3;2-8,10-13,15-16H,9,14H2,1H3,(H,33,34,35);2-8,10-15H,9H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyMMEIKUXYIUOBRV-UHFFFAOYSA-N
MW2320.74 g/mol
LogP33.89
Rot. Bonds29

About 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 159606797) has the molecular formula C148H120F6N14O5S and a molecular weight of 2320.74 g/mol. Its IUPAC name is 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID159606797
Molecular FormulaC148H120F6N14O5S
Molecular Weight2320.74 g/mol
Exact Mass2318.92
IUPAC Name2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cc5ccccc5s4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccnc4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4ccncc4)c4c(n3)CC=C4)c2)c1
InChIInChI=1S/C33H27NOS.2C30H26N2O.C28H21F3N4O.C27H20F3N5O/c1-21-7-5-9-24(15-21)31(35)17-23-14-13-22(2)26(16-23)18-27-20-29(28-10-6-11-30(28)34-27)33-19-25-8-3-4-12-32(25)36-33;1-20-6-3-7-23(14-20)30(33)16-22-12-11-21(2)25(15-22)17-26-18-28(24-8-5-13-31-19-24)27-9-4-10-29(27)32-26;1-20-5-3-6-24(15-20)30(33)17-22-10-9-21(2)25(16-22)18-26-19-28(23-11-13-31-14-12-23)27-7-4-8-29(27)32-26;1-17-10-11-18(14-25(36)19-5-2-7-21(15-19)28(29,30)31)13-24(17)34-27-22-8-3-9-23(22)33-26(35-27)20-6-4-12-32-16-20;1-16-10-11-17(26(36)32-20-7-2-6-19(14-20)27(28,29)30)13-23(16)34-25-21-8-3-9-22(21)33-24(35-25)18-5-4-12-31-15-18/h3-10,12-16,19-20H,11,17-18H2,1-2H3;3-9,11-15,18-19H,10,16-17H2,1-2H3;3-7,9-16,19H,8,17-18H2,1-2H3;2-8,10-13,15-16H,9,14H2,1H3,(H,33,34,35);2-8,10-15H,9H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyMMEIKUXYIUOBRV-UHFFFAOYSA-N
XLogP33.89
TPSA263.23 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.74
LogP ≤ 533.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[4-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 160205158
bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 160564269
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 160817490
3-[[2-(1H-indol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-N-phenyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propane-2-thione;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 161025385
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161396286
1-(1-benzothiophen-2-yl)-3-(4-methylphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-(6-oxo-1H-pyridin-3-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(4-methylphenyl)-1-(4-propanoylphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 165044841
N-[3-[2-[4-[[6-[[4-[[4-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]pyrimidin-2-yl]amino]benzoyl]amino]-2,6-dimethyloctan-2-yl]carbamoyl]anilino]pyrimidin-4-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 143646056
N-[4-(dimethylamino)butyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(1H-indol-4-ylmethyl)-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(1H-indol-6-ylmethyl)-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157829362
1-[4-[2-[[4-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;1-[4-[2-[[4-[4-(thiophene-3-carbonyl)piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one
CID 158119688
[2-[3-(2,6-Dimethylphenyl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(3-methylthiophen-2-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[3-(4-methylthiophen-3-yl)anilino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone;piperazin-1-yl-[2-(3-pyridin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 158210120
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1-methylindol-6-yl)pyrimidin-4-yl]amino]phenyl]benzamide;(E)-4-(dimethylamino)-N-[4-[2-[3-[[6-(2-methyl-4-pyridinyl)pyrimidin-4-yl]methyl]phenyl]acetyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[2-[3-[(6-pyridin-4-ylpyrimidin-4-yl)methyl]phenyl]acetyl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[2-[3-[(6-pyridin-3-ylsulfanylpyrimidin-4-yl)methyl]phenyl]acetyl]phenyl]but-2-enamide
CID 159417736
2,6-dimethyl-4a,9a-dihydroanthracene-9,10-dione;2,6-dimethylanthracene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9H-fluorene;bis(2,6-dimethyl-1H-indene);bis(2,6-dimethylnaphthalene);2,5-dimethylpentalene;bis(2,6-dimethylquinazoline);bis(2,6-dimethylquinoline);3,7-dimethylquinoline;ethane;methane
CID 159807965

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 159606797) is 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1C=CC2.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cc5ccccc5s4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccnc4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4ccncc4)c4c(n3)CC=C4)c2)c1.
What is the InChIKey of 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MMEIKUXYIUOBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NOS.2C30H26N2O.C28H21F3N4O.C27H20F3N5O/c1-21-7-5-9-24(15-21)31(35)17-23-14-13-22(2)26(16-23)18-27-20-29(28-10-6-11-30(28)34-27)33-19-25-8-3-4-12-32(25)36-33;1-20-6-3-7-23(14-20)30(33)16-22-12-11-21(2)25(15-22)17-26-18-28(24-8-5-13-31-19-24)27-9-4-10-29(27)32-26;1-20-5-3-6-24(15-20)30(33)17-22-10-9-21(2)25(16-22)18-26-19-28(23-11-13-31-14-12-23)27-7-4-8-29(27)32-26;1-17-10-11-18(14-25(36)19-5-2-7-21(15-19)28(29,30)31)13-24(17)34-27-22-8-3-9-23(22)33-26(35-27)20-6-4-12-32-16-20;1-16-10-11-17(26(36)32-20-7-2-6-19(14-20)27(28,29)30)13-23(16)34-25-21-8-3-9-22(21)33-24(35-25)18-5-4-12-31-15-18/h3-10,12-16,19-20H,11,17-18H2,1-2H3;3-9,11-15,18-19H,10,16-17H2,1-2H3;3-7,9-16,19H,8,17-18H2,1-2H3;2-8,10-13,15-16H,9,14H2,1H3,(H,33,34,35);2-8,10-15H,9H2,1H3,(H,32,36)(H,33,34,35).
What are the key properties of 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2320.74 g/mol, XLogP of 33.89, 29 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159606797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).