(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone

C162H134N16O8 — CID 158040121

IUPAC(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone
SMILESCOC[C@@H](C(=O)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1)c1cccc(C)c1.Cc1cccc(C(CN2CCOCC2)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)c1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.O=C(Cc1ccc2ccccc2c1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1.O=C(Cc1ccc2ccccc2n1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1
InChIInChI=1S/C30H29N3O2.C28H20N2O.C27H19N3O.C27H24N2O2.2C25H21N3O/c1-20-3-2-4-22(13-20)28(19-33-9-11-35-12-10-33)30(34)25-14-23-16-26-18-32-29(21-5-7-31-8-6-21)27(26)17-24(23)15-25;31-27(12-18-5-6-19-3-1-2-4-21(19)11-18)24-13-22-15-25-17-30-28(20-7-9-29-10-8-20)26(25)16-23(22)14-24;31-26(15-23-6-5-17-3-1-2-4-25(17)30-23)21-11-19-13-22-16-29-27(18-7-9-28-10-8-18)24(22)14-20(19)12-21;1-17-4-3-5-19(10-17)25(16-31-2)27(30)22-11-20-13-23-15-29-26(18-6-8-28-9-7-18)24(23)14-21(20)12-22;2*1-15-4-3-5-23(28-15)16(2)25(29)20-10-18-12-21-14-27-24(17-6-8-26-9-7-17)22(21)13-19(18)11-20/h2-8,13,15-17,28H,9-12,14,18-19H2,1H3;1-11,14-16H,12-13,17H2;1-10,12-14H,11,15-16H2;3-10,12-14,25H,11,15-16H2,1-2H3;2*3-9,11-13,16H,10,14H2,1-2H3/t;;;25-;2*16-/m...110/s1
InChIKeyFIGDHPOANYIVKF-QCGSBBOPSA-N
MW2432.96 g/mol
LogP28.01
Rot. Bonds28

About (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone

(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone (PubChem CID 158040121) has the molecular formula C162H134N16O8 and a molecular weight of 2432.96 g/mol. Its IUPAC name is (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone
PubChem CID158040121
Molecular FormulaC162H134N16O8
Molecular Weight2432.96 g/mol
Exact Mass2431.06
IUPAC Name(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone
SMILESCOC[C@@H](C(=O)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1)c1cccc(C)c1.Cc1cccc(C(CN2CCOCC2)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)c1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.O=C(Cc1ccc2ccccc2c1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1.O=C(Cc1ccc2ccccc2n1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1
InChIInChI=1S/C30H29N3O2.C28H20N2O.C27H19N3O.C27H24N2O2.2C25H21N3O/c1-20-3-2-4-22(13-20)28(19-33-9-11-35-12-10-33)30(34)25-14-23-16-26-18-32-29(21-5-7-31-8-6-21)27(26)17-24(23)15-25;31-27(12-18-5-6-19-3-1-2-4-21(19)11-18)24-13-22-15-25-17-30-28(20-7-9-29-10-8-20)26(25)16-23(22)14-24;31-26(15-23-6-5-17-3-1-2-4-25(17)30-23)21-11-19-13-22-16-29-27(18-7-9-28-10-8-18)24(22)14-20(19)12-21;1-17-4-3-5-19(10-17)25(16-31-2)27(30)22-11-20-13-23-15-29-26(18-6-8-28-9-7-18)24(23)14-21(20)12-22;2*1-15-4-3-5-23(28-15)16(2)25(29)20-10-18-12-21-14-27-24(17-6-8-26-9-7-17)22(21)13-19(18)11-20/h2-8,13,15-17,28H,9-12,14,18-19H2,1H3;1-11,14-16H,12-13,17H2;1-10,12-14H,11,15-16H2;3-10,12-14,25H,11,15-16H2,1-2H3;2*3-9,11-13,16H,10,14H2,1-2H3/t;;;25-;2*16-/m...110/s1
InChIKeyFIGDHPOANYIVKF-QCGSBBOPSA-N
XLogP28.01
TPSA314.29 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002432.96
LogP ≤ 528.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 157285168
1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 157325006
CID 157452461
CID 157452461
1-[2-[3-[2-[4-(4-tert-butylisoquinolin-1-yl)benzene-5-id-1-yl]phenyl]-5-[2-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-5-hydroxyhex-4-en-3-one;1-(2-hydroxy-3,3-dimethylcyclohexen-1-yl)-3-[2-[3-[2-[6-(1H-naphthalen-1-id-2-yl)-3-pyridinyl]phenyl]-5-[2-(4-quinolin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]propan-1-one;5-hydroxy-1-[2-[3-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-5-[2-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-7,7-dimethyloct-4-en-3-one;tris(iridium)
CID 157501352
1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 157573987
5-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-cyclopropyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(naphthalen-2-ylmethyl)-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-pyridin-4-yl-5-(quinolin-2-ylmethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
CID 157581509
1-[4-[3-(3,4-Dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-quinolin-3-ylnonan-2-one;1-quinolin-3-yloctan-2-one
CID 157929374
Ethane;bis(isoquinolin-1-yl(phenyl)methanone);bis(naphthalen-1-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(pyridin-2-yl)methanone);bis(naphthalen-2-yl(quinolin-2-yl)methanone)
CID 158195212
22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 158485727
1-[4-[3-(3,4-Dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one
CID 158616452
Ethane;bis(isoquinolin-1-yl(naphthalen-1-yl)methanone);bis(isoquinolin-1-yl(phenyl)methanone);tetrakis(naphthalen-2-yl(quinolin-2-yl)methanone)
CID 158617658
CID 158826859
CID 158826859

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone?
The IUPAC name of (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone (CID 158040121) is (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone.
What is the SMILES notation for (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone?
The canonical SMILES for (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone is COC[C@@H](C(=O)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1)c1cccc(C)c1.Cc1cccc(C(CN2CCOCC2)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)c1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccncc2)n1.O=C(Cc1ccc2ccccc2c1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1.O=C(Cc1ccc2ccccc2n1)C1=Cc2cc3c(cc2C1)CN=C3c1ccncc1.
What is the InChIKey of (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone?
The InChIKey is FIGDHPOANYIVKF-QCGSBBOPSA-N. The full InChI is InChI=1S/C30H29N3O2.C28H20N2O.C27H19N3O.C27H24N2O2.2C25H21N3O/c1-20-3-2-4-22(13-20)28(19-33-9-11-35-12-10-33)30(34)25-14-23-16-26-18-32-29(21-5-7-31-8-6-21)27(26)17-24(23)15-25;31-27(12-18-5-6-19-3-1-2-4-21(19)11-18)24-13-22-15-25-17-30-28(20-7-9-29-10-8-20)26(25)16-23(22)14-24;31-26(15-23-6-5-17-3-1-2-4-25(17)30-23)21-11-19-13-22-16-29-27(18-7-9-28-10-8-18)24(22)14-20(19)12-21;1-17-4-3-5-19(10-17)25(16-31-2)27(30)22-11-20-13-23-15-29-26(18-6-8-28-9-7-18)24(23)14-21(20)12-22;2*1-15-4-3-5-23(28-15)16(2)25(29)20-10-18-12-21-14-27-24(17-6-8-26-9-7-17)22(21)13-19(18)11-20/h2-8,13,15-17,28H,9-12,14,18-19H2,1H3;1-11,14-16H,12-13,17H2;1-10,12-14H,11,15-16H2;3-10,12-14,25H,11,15-16H2,1-2H3;2*3-9,11-13,16H,10,14H2,1-2H3/t;;;25-;2*16-/m...110/s1.
What are the key properties of (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone?
(2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone has a molecular weight of 2432.96 g/mol, XLogP of 28.01, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-(3-methylphenyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-(3-methylphenyl)-3-morpholin-4-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2S)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;(2R)-2-(6-methyl-2-pyridinyl)-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)propan-1-one;2-naphthalen-2-yl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethanone;1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 158040121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).