1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione

C133H133Cl5FN23O7 — CID 159697401

About 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione

1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione (PubChem CID 159697401) has the molecular formula C133H133Cl5FN23O7 and a molecular weight of 2361.94 g/mol. Its IUPAC name is 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione.

Molecular Properties

• Compound Name: 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione
• PubChem CID: 159697401
• Molecular Formula: C133H133Cl5FN23O7
• Molecular Weight: 2361.94 g/mol
• Exact Mass: 2357.92
• IUPAC Name: 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione
• SMILES: CCC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)CC3=O)c3ccccc32)C1.CCCC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.CCN1CCC2(CC1)CCN(c1ncnc3c1C(Cl)=CC3)C2.CCNC(=O)c1ccc(Nc2nc(N[C@@H](CO)C(C)C)nc3c2ncn3C(C)C)cc1Cl.CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.CCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
• InChI: InChI=1S/C28H26N2O2.C22H18Cl2N4O2.C22H30ClN7O2.C22H18ClN3O.C22H18FN3.C17H23ClN4/c1-3-17-12-13-30-22-11-7-5-9-19(22)26(23(30)14-17)28-25(32)15-24(31)27(28)20-16-29(2)21-10-6-4-8-18(20)21;1-3-30-15-9-7-14(8-10-15)26-22-25-12-13-11-16(21(29)28(2)20(13)27-22)19-17(23)5-4-6-18(19)24;1-6-24-21(32)15-8-7-14(9-16(15)23)26-19-18-20(30(11-25-18)13(4)5)29-22(28-19)27-17(10-31)12(2)3;1-2-4-21(27)14-7-8-17-19-13-24-10-9-18(19)22(26-20(17)11-14)25-16-6-3-5-15(23)12-16;1-2-15-3-5-18(6-4-15)22-25-20(16-7-9-19(23)10-8-16)21(26-22)17-11-13-24-14-12-17;1-2-21-8-5-17(6-9-21)7-10-22(11-17)16-15-13(18)3-4-14(15)19-12-20-16/h4-11,16-17H,3,12-15H2,1-2H3;4-12H,3H2,1-2H3,(H,25,26,27);7-9,11-13,17,31H,6,10H2,1-5H3,(H,24,32)(H2,26,27,28,29);3,5-13H,2,4H2,1H3,(H,25,26);3-14H,2H2,1H3,(H,25,26);3,12H,2,4-11H2,1H3/t;;17-;;;/m..0.../s1
• InChIKey: MXENXLRDBBMUNZ-SGIIYRDSSA-N
• XLogP: 29.58
• TPSA: 358.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2361.94
LogP ≤ 5	29.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione?

The IUPAC name of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione (CID 159697401) is 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione.

What is the SMILES notation for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione?

The canonical SMILES for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione is CCC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)CC3=O)c3ccccc32)C1.CCCC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12.CCN1CCC2(CC1)CCN(c1ncnc3c1C(Cl)=CC3)C2.CCNC(=O)c1ccc(Nc2nc(N[C@@H](CO)C(C)C)nc3c2ncn3C(C)C)cc1Cl.CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.CCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.

What is the InChIKey of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione?

The InChIKey is MXENXLRDBBMUNZ-SGIIYRDSSA-N. The full InChI is InChI=1S/C28H26N2O2.C22H18Cl2N4O2.C22H30ClN7O2.C22H18ClN3O.C22H18FN3.C17H23ClN4/c1-3-17-12-13-30-22-11-7-5-9-19(22)26(23(30)14-17)28-25(32)15-24(31)27(28)20-16-29(2)21-10-6-4-8-18(20)21;1-3-30-15-9-7-14(8-10-15)26-22-25-12-13-11-16(21(29)28(2)20(13)27-22)19-17(23)5-4-6-18(19)24;1-6-24-21(32)15-8-7-14(9-16(15)23)26-19-18-20(30(11-25-18)13(4)5)29-22(28-19)27-17(10-31)12(2)3;1-2-4-21(27)14-7-8-17-19-13-24-10-9-18(19)22(26-20(17)11-14)25-16-6-3-5-15(23)12-16;1-2-15-3-5-18(6-4-15)22-25-20(16-7-9-19(23)10-8-16)21(26-22)17-11-13-24-14-12-17;1-2-21-8-5-17(6-9-21)7-10-22(11-17)16-15-13(18)3-4-14(15)19-12-20-16/h4-11,16-17H,3,12-15H2,1-2H3;4-12H,3H2,1-2H3,(H,25,26,27);7-9,11-13,17,31H,6,10H2,1-5H3,(H,24,32)(H2,26,27,28,29);3,5-13H,2,4H2,1H3,(H,25,26);3-14H,2H2,1H3,(H,25,26);3,12H,2,4-11H2,1H3/t;;17-;;;/m..0.../s1.

What are the key properties of 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione?

1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione has a molecular weight of 2361.94 g/mol, XLogP of 29.58, 28 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 159697401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).