4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

C118H108Cl6FN21O9S — CID 158269581

About 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 158269581) has the molecular formula C118H108Cl6FN21O9S and a molecular weight of 2228.08 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

• Compound Name: 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
• PubChem CID: 158269581
• Molecular Formula: C118H108Cl6FN21O9S
• Molecular Weight: 2228.08 g/mol
• Exact Mass: 2223.65
• IUPAC Name: 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
• SMILES: CCc1c(C(=O)C(=O)Nc2c(Cl)cncc2Cl)c2cc(O)ccc2n1Cc1ccc(F)cc1.CCc1cc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2nc1CC.CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1.CCc1nn(C)c2c1CCn1c(-c3cccs3)nnc1-2.CCn1c(-c2ccc(OC)cc2)nc2ccccc21.CCn1cc(C(=O)C(=O)Nc2c(Cl)cncc2Cl)c2cc(O)ccc21.[C-]#[N+]c1ccc2c(ccn2CC)c1
• InChI: InChI=1S/C24H18Cl2FN3O3.C19H20ClN3O.C17H13Cl2N3O3.C17H16ClN3O.C16H16N2O.C14H15N5S.C11H10N2/c1-2-19-21(23(32)24(33)29-22-17(25)10-28-11-18(22)26)16-9-15(31)7-8-20(16)30(19)12-13-3-5-14(27)6-4-13;1-4-12-11-15-17(13-8-7-9-14(20)10-13)22-19(24)23(6-3)18(15)21-16(12)5-2;1-2-22-8-11(10-5-9(23)3-4-14(10)22)16(24)17(25)21-15-12(18)6-20-7-13(15)19;1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13;1-3-18-15-7-5-4-6-14(15)17-16(18)12-8-10-13(19-2)11-9-12;1-3-10-9-6-7-19-13(11-5-4-8-20-11)15-16-14(19)12(9)18(2)17-10;1-3-13-7-6-9-8-10(12-2)4-5-11(9)13/h3-11,31H,2,12H2,1H3,(H,28,29,33);7-11H,4-6H2,1-3H3;3-8,23H,2H2,1H3,(H,20,21,25);5-10H,3-4H2,1-2H3;4-11H,3H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-8H,3H2,1H3
• InChIKey: GIWAZNAPQNXXBY-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 348.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.08
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?

The IUPAC name of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (CID 158269581) is 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

What is the SMILES notation for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?

The canonical SMILES for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1c(C(=O)C(=O)Nc2c(Cl)cncc2Cl)c2cc(O)ccc2n1Cc1ccc(F)cc1.CCc1cc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2nc1CC.CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1.CCc1nn(C)c2c1CCn1c(-c3cccs3)nnc1-2.CCn1c(-c2ccc(OC)cc2)nc2ccccc21.CCn1cc(C(=O)C(=O)Nc2c(Cl)cncc2Cl)c2cc(O)ccc21.[C-]#[N+]c1ccc2c(ccn2CC)c1.

What is the InChIKey of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?

The InChIKey is GIWAZNAPQNXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O3.C19H20ClN3O.C17H13Cl2N3O3.C17H16ClN3O.C16H16N2O.C14H15N5S.C11H10N2/c1-2-19-21(23(32)24(33)29-22-17(25)10-28-11-18(22)26)16-9-15(31)7-8-20(16)30(19)12-13-3-5-14(27)6-4-13;1-4-12-11-15-17(13-8-7-9-14(20)10-13)22-19(24)23(6-3)18(15)21-16(12)5-2;1-2-22-8-11(10-5-9(23)3-4-14(10)22)16(24)17(25)21-15-12(18)6-20-7-13(15)19;1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13;1-3-18-15-7-5-4-6-14(15)17-16(18)12-8-10-13(19-2)11-9-12;1-3-10-9-6-7-19-13(11-5-4-8-20-11)15-16-14(19)12(9)18(2)17-10;1-3-13-7-6-9-8-10(12-2)4-5-11(9)13/h3-11,31H,2,12H2,1H3,(H,28,29,33);7-11H,4-6H2,1-3H3;3-8,23H,2H2,1H3,(H,20,21,25);5-10H,3-4H2,1-2H3;4-11H,3H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-8H,3H2,1H3.

What are the key properties of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?

4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 2228.08 g/mol, XLogP of 26.93, 23 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 158269581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).