2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone

C150H129Cl2N11O5 — CID 161318635

IUPAC2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
SMILESCc1ccc(-c2cc(Nc3cc(CC(=O)c4cccc(C)c4)ccc3C)c3c(n2)CC=C3)cc1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/C31H28N2O.2C30H25ClN2O.C30H26N2O.C29H25N3O/c1-20-10-14-24(15-11-20)29-19-30(26-8-5-9-27(26)32-29)33-28-17-23(13-12-22(28)3)18-31(34)25-7-4-6-21(2)16-25;1-19-6-3-8-23(14-19)30(34)16-21-13-12-20(2)27(15-21)33-29-18-28(22-7-4-9-24(31)17-22)32-26-11-5-10-25(26)29;1-19-5-3-6-23(15-19)30(34)17-21-10-9-20(2)27(16-21)33-29-18-28(22-11-13-24(31)14-12-22)32-26-8-4-7-25(26)29;1-20-8-6-11-24(16-20)30(33)18-22-15-14-21(2)27(17-22)32-29-19-28(23-9-4-3-5-10-23)31-26-13-7-12-25(26)29;1-19-6-3-7-22(14-19)29(33)16-21-12-11-20(2)26(15-21)32-28-17-27(23-8-5-13-30-18-23)31-25-10-4-9-24(25)28/h4-8,10-17,19H,9,18H2,1-3H3,(H,32,33);3-10,12-15,17-18H,11,16H2,1-2H3,(H,32,33);3-7,9-16,18H,8,17H2,1-2H3,(H,32,33);3-12,14-17,19H,13,18H2,1-2H3,(H,31,32);3-9,11-15,17-18H,10,16H2,1-2H3,(H,31,32)
InChIKeyVJVMUNSAMYBRTO-UHFFFAOYSA-N
MW2236.66 g/mol
LogP36.53
Rot. Bonds30

About 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone

2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone (PubChem CID 161318635) has the molecular formula C150H129Cl2N11O5 and a molecular weight of 2236.66 g/mol. Its IUPAC name is 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
PubChem CID161318635
Molecular FormulaC150H129Cl2N11O5
Molecular Weight2236.66 g/mol
Exact Mass2233.96
IUPAC Name2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
SMILESCc1ccc(-c2cc(Nc3cc(CC(=O)c4cccc(C)c4)ccc3C)c3c(n2)CC=C3)cc1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/C31H28N2O.2C30H25ClN2O.C30H26N2O.C29H25N3O/c1-20-10-14-24(15-11-20)29-19-30(26-8-5-9-27(26)32-29)33-28-17-23(13-12-22(28)3)18-31(34)25-7-4-6-21(2)16-25;1-19-6-3-8-23(14-19)30(34)16-21-13-12-20(2)27(15-21)33-29-18-28(22-7-4-9-24(31)17-22)32-26-11-5-10-25(26)29;1-19-5-3-6-23(15-19)30(34)17-21-10-9-20(2)27(16-21)33-29-18-28(22-11-13-24(31)14-12-22)32-26-8-4-7-25(26)29;1-20-8-6-11-24(16-20)30(33)18-22-15-14-21(2)27(17-22)32-29-19-28(23-9-4-3-5-10-23)31-26-13-7-12-25(26)29;1-19-6-3-7-22(14-19)29(33)16-21-12-11-20(2)26(15-21)32-28-17-27(23-8-5-13-30-18-23)31-25-10-4-9-24(25)28/h4-8,10-17,19H,9,18H2,1-3H3,(H,32,33);3-10,12-15,17-18H,11,16H2,1-2H3,(H,32,33);3-7,9-16,18H,8,17H2,1-2H3,(H,32,33);3-12,14-17,19H,13,18H2,1-2H3,(H,31,32);3-9,11-15,17-18H,10,16H2,1-2H3,(H,31,32)
InChIKeyVJVMUNSAMYBRTO-UHFFFAOYSA-N
XLogP36.53
TPSA222.84 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.66
LogP ≤ 536.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-[(dimethylamino)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;2-[4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-(4-methylpiperazin-1-yl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158200725
4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;N-(3-methylphenyl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide
CID 162084941
1-[4-[[1-[(2-Chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone
CID 91484579
CID 157650595
CID 157650595
4-fluoro-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;N-(3-fluorophenyl)-4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-3-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]propane-2-thione;1-(3-methylphenyl)-3-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]propan-2-one
CID 157841504
1-[7-(5-Chloro-2-methyl-4-pyridinyl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-cyclopropyl-4-pyridinyl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2,6-dimethyl-4-pyridinyl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-(6-methyl-2-pyridinyl)-1-[7-(2-methyl-4-pyridinyl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]ethanone;4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridine-2-carbonitrile;2-phenyl-1-[7-(2-propan-2-yl-4-pyridinyl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]ethanone
CID 158325273
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride
CID 159214770
1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one
CID 159666825
9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one
CID 160171377
4-N-[(2-aminophenyl)methyl]-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 160253233
2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide
CID 161154550
1-[4-[[1-[(2-Chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;methane;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone
CID 161537057

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone (CID 161318635) is 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone is Cc1ccc(-c2cc(Nc3cc(CC(=O)c4cccc(C)c4)ccc3C)c3c(n2)CC=C3)cc1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4cccnc4)nc4c3C=CC4)c2)c1.
What is the InChIKey of 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The InChIKey is VJVMUNSAMYBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O.2C30H25ClN2O.C30H26N2O.C29H25N3O/c1-20-10-14-24(15-11-20)29-19-30(26-8-5-9-27(26)32-29)33-28-17-23(13-12-22(28)3)18-31(34)25-7-4-6-21(2)16-25;1-19-6-3-8-23(14-19)30(34)16-21-13-12-20(2)27(15-21)33-29-18-28(22-7-4-9-24(31)17-22)32-26-11-5-10-25(26)29;1-19-5-3-6-23(15-19)30(34)17-21-10-9-20(2)27(16-21)33-29-18-28(22-11-13-24(31)14-12-22)32-26-8-4-7-25(26)29;1-20-8-6-11-24(16-20)30(33)18-22-15-14-21(2)27(17-22)32-29-19-28(23-9-4-3-5-10-23)31-26-13-7-12-25(26)29;1-19-6-3-7-22(14-19)29(33)16-21-12-11-20(2)26(15-21)32-28-17-27(23-8-5-13-30-18-23)31-25-10-4-9-24(25)28/h4-8,10-17,19H,9,18H2,1-3H3,(H,32,33);3-10,12-15,17-18H,11,16H2,1-2H3,(H,32,33);3-7,9-16,18H,8,17H2,1-2H3,(H,32,33);3-12,14-17,19H,13,18H2,1-2H3,(H,31,32);3-9,11-15,17-18H,10,16H2,1-2H3,(H,31,32).
What are the key properties of 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone has a molecular weight of 2236.66 g/mol, XLogP of 36.53, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[[2-(4-methylphenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 161318635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).