3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one

C129H106Cl14N12O22S — CID 158142513

About 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one

3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one (PubChem CID 158142513) has the molecular formula C129H106Cl14N12O22S and a molecular weight of 2704.74 g/mol. Its IUPAC name is 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one
• PubChem CID: 158142513
• Molecular Formula: C129H106Cl14N12O22S
• Molecular Weight: 2704.74 g/mol
• Exact Mass: 2696.29
• IUPAC Name: 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one
• SMILES: C=S(C)(=O)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CC(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CN(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CN(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(-n2cccn2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CC2)cc1
• InChI: InChI=1S/C19H13Cl2N3O3.C19H15Cl2NO3.C19H17Cl2NO3.C18H14Cl2N2O3.2C18H16Cl2N2O3.C18H15Cl2NO4S/c20-13-6-7-14(21)17-16(13)19(27,18(26)23-17)10-15(25)11-2-4-12(5-3-11)24-9-1-8-22-24;20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10;1-10(2)11-3-5-12(6-4-11)15(23)9-19(25)16-13(20)7-8-14(21)17(16)22-18(19)24;19-12-5-6-13(20)16-15(12)18(25,17(24)21-16)9-14(23)10-1-3-11(4-2-10)22-7-8-22;2*1-22(2)11-5-3-10(4-6-11)14(23)9-18(25)15-12(19)7-8-13(20)16(15)21-17(18)24;1-26(2,25)11-5-3-10(4-6-11)14(22)9-18(24)15-12(19)7-8-13(20)16(15)21-17(18)23/h1-9,27H,10H2,(H,23,26);3-8,10,25H,1-2,9H2,(H,22,24);3-8,10,25H,9H2,1-2H3,(H,22,24);1-6,25H,7-9H2,(H,21,24);2*3-8,25H,9H2,1-2H3,(H,21,24);3-8,24H,1,9H2,2H3,(H,21,23)
• InChIKey: FUCPKUUQHNFLSW-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 509.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.74
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one?

The IUPAC name of 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one (CID 158142513) is 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one.

What is the SMILES notation for 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one?

The canonical SMILES for 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one is C=S(C)(=O)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CC(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CN(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.CN(C)c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(-n2cccn2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CC2)cc1.

What is the InChIKey of 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one?

The InChIKey is FUCPKUUQHNFLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3.C19H15Cl2NO3.C19H17Cl2NO3.C18H14Cl2N2O3.2C18H16Cl2N2O3.C18H15Cl2NO4S/c20-13-6-7-14(21)17-16(13)19(27,18(26)23-17)10-15(25)11-2-4-12(5-3-11)24-9-1-8-22-24;20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10;1-10(2)11-3-5-12(6-4-11)15(23)9-19(25)16-13(20)7-8-14(21)17(16)22-18(19)24;19-12-5-6-13(20)16-15(12)18(25,17(24)21-16)9-14(23)10-1-3-11(4-2-10)22-7-8-22;2*1-22(2)11-5-3-10(4-6-11)14(23)9-18(25)15-12(19)7-8-13(20)16(15)21-17(18)24;1-26(2,25)11-5-3-10(4-6-11)14(22)9-18(24)15-12(19)7-8-13(20)16(15)21-17(18)23/h1-9,27H,10H2,(H,23,26);3-8,10,25H,1-2,9H2,(H,22,24);3-8,10,25H,9H2,1-2H3,(H,22,24);1-6,25H,7-9H2,(H,21,24);2*3-8,25H,9H2,1-2H3,(H,21,24);3-8,24H,1,9H2,2H3,(H,21,23).

What are the key properties of 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one?

3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 2704.74 g/mol, XLogP of 25.69, 28 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(aziridin-1-yl)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;bis(4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one);4,7-dichloro-3-hydroxy-3-[2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-oxo-2-(4-pyrazol-1-ylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 158142513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).