(5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

C100H83FN20O23S2 — CID 157495544

About (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

(5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 157495544) has the molecular formula C100H83FN20O23S2 and a molecular weight of 2016.01 g/mol. Its IUPAC name is (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
• PubChem CID: 157495544
• Molecular Formula: C100H83FN20O23S2
• Molecular Weight: 2016.01 g/mol
• Exact Mass: 2014.54
• IUPAC Name: (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc[nH]c3=O)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncnc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C21H16FN3O4S.C20H16N4O5.C20H20N4O5.C20H16N4O4S.C19H15N5O5/c1-29-14-4-2-11-9-25(18(26)15(11)8-14)10-21(19(27)23-20(28)24-21)17-7-12-6-13(22)3-5-16(12)30-17;1-28-13-3-2-12-9-24(17(25)14(12)7-13)10-20(18(26)22-19(27)23-20)16-6-11-4-5-21-8-15(11)29-16;1-29-14-5-4-13-10-24(17(26)15(13)9-14)11-20(18(27)22-19(28)23-20)7-6-12-3-2-8-21-16(12)25;1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16;1-28-12-3-2-10-7-24(16(25)13(10)5-12)8-19(17(26)22-18(27)23-19)14-4-11-6-20-9-21-15(11)29-14/h2-8H,9-10H2,1H3,(H2,23,24,27,28);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H2,22,23,27,28);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-6,9H,7-8H2,1H3,(H2,22,23,26,27)/t21-;3*20-;19-/m00100/s1
• InChIKey: BXUFWPJPALISQA-OUIGDRBESA-N
• XLogP: 7.73
• TPSA: 549.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2016.01
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (CID 157495544) is (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(CCc3ccc[nH]c3=O)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncnc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

The InChIKey is BXUFWPJPALISQA-OUIGDRBESA-N. The full InChI is InChI=1S/C21H16FN3O4S.C20H16N4O5.C20H20N4O5.C20H16N4O4S.C19H15N5O5/c1-29-14-4-2-11-9-25(18(26)15(11)8-14)10-21(19(27)23-20(28)24-21)17-7-12-6-13(22)3-5-16(12)30-17;1-28-13-3-2-12-9-24(17(25)14(12)7-13)10-20(18(26)22-19(27)23-20)16-6-11-4-5-21-8-15(11)29-16;1-29-14-5-4-13-10-24(17(26)15(13)9-14)11-20(18(27)22-19(28)23-20)7-6-12-3-2-8-21-16(12)25;1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16;1-28-12-3-2-10-7-24(16(25)13(10)5-12)8-19(17(26)22-18(27)23-19)14-4-11-6-20-9-21-15(11)29-14/h2-8H,9-10H2,1H3,(H2,23,24,27,28);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H2,22,23,27,28);2-8H,9-10H2,1H3,(H2,22,23,26,27);2-6,9H,7-8H2,1H3,(H2,22,23,26,27)/t21-;3*20-;19-/m00100/s1.

What are the key properties of (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?

(5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 2016.01 g/mol, XLogP of 7.73, 22 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(5-fluoro-1-benzothiophen-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-furo[2,3-d]pyrimidin-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1H-pyridin-3-yl)ethyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 157495544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).