(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

C104H80Cl12FN11O20 — CID 160853029

IUPAC(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1
InChIInChI=1S/2C20H18Cl2N2O4.C19H14Cl2FNO3.3C15H10Cl2N2O3/c2*21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h2*1-6,27H,7-11H2,(H,23,26);3-7,9,26H,1-2,8H2,(H,23,25);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21)/t2*20-;19-;3*15-/m100111/s1
InChIKeySJMWFINYKUWGRM-WMTBLBJGSA-N
MW2248.27 g/mol
LogP19.31
Rot. Bonds21

About (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one

(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (PubChem CID 160853029) has the molecular formula C104H80Cl12FN11O20 and a molecular weight of 2248.27 g/mol. Its IUPAC name is (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
PubChem CID160853029
Molecular FormulaC104H80Cl12FN11O20
Molecular Weight2248.27 g/mol
Exact Mass2241.18
IUPAC Name(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1
InChIInChI=1S/2C20H18Cl2N2O4.C19H14Cl2FNO3.3C15H10Cl2N2O3/c2*21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h2*1-6,27H,7-11H2,(H,23,26);3-7,9,26H,1-2,8H2,(H,23,25);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21)/t2*20-;19-;3*15-/m100111/s1
InChIKeySJMWFINYKUWGRM-WMTBLBJGSA-N
XLogP19.31
TPSA462.01 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.27
LogP ≤ 519.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The IUPAC name of (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one (CID 160853029) is (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(N2CCOCC2)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccn1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccncc1.
What is the InChIKey of (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
The InChIKey is SJMWFINYKUWGRM-WMTBLBJGSA-N. The full InChI is InChI=1S/2C20H18Cl2N2O4.C19H14Cl2FNO3.3C15H10Cl2N2O3/c2*21-14-5-6-15(22)18-17(14)20(27,19(26)23-18)11-16(25)12-1-3-13(4-2-12)24-7-9-28-10-8-24;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;16-9-1-2-10(17)13-12(9)15(22,14(21)19-13)7-11(20)8-3-5-18-6-4-8;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;16-8-4-5-9(17)13-12(8)15(22,14(21)19-13)7-11(20)10-3-1-2-6-18-10/h2*1-6,27H,7-11H2,(H,23,26);3-7,9,26H,1-2,8H2,(H,23,25);1-6,22H,7H2,(H,19,21);1-5,7,22H,6H2,(H,19,21);1-6,22H,7H2,(H,19,21)/t2*20-;19-;3*15-/m100111/s1.
What are the key properties of (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one?
(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one has a molecular weight of 2248.27 g/mol, XLogP of 19.31, 21 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 160853029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).