(5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione

C80H62BrClFN17O20 — CID 157274766

About (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 157274766) has the molecular formula C80H62BrClFN17O20 and a molecular weight of 1715.83 g/mol. Its IUPAC name is (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
• PubChem CID: 157274766
• Molecular Formula: C80H62BrClFN17O20
• Molecular Weight: 1715.83 g/mol
• Exact Mass: 1713.32
• IUPAC Name: (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(Cl)nc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncc(Br)c4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C21H18N4O5.C20H15BrN4O5.C20H15FN4O5.C19H14ClN5O5/c1-11-5-13-6-17(30-16(13)8-22-11)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26;1-29-12-3-2-10-8-25(17(26)13(10)5-12)9-20(18(27)23-19(28)24-20)15-4-11-6-22-7-14(21)16(11)30-15;1-29-12-3-2-10-8-25(17(26)13(10)6-12)9-20(18(27)23-19(28)24-20)15-4-11-5-16(21)22-7-14(11)30-15;1-29-11-3-2-9-7-25(15(26)12(9)5-11)8-19(16(27)23-18(28)24-19)13-4-10-6-21-17(20)22-14(10)30-13/h3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2*2-7H,8-9H2,1H3,(H2,23,24,27,28);2-6H,7-8H2,1H3,(H2,23,24,27,28)/t21-;2*20-;19-/m0000/s1
• InChIKey: AYYUDEAXLCXAGO-GDZQDPKLSA-N
• XLogP: 7.37
• TPSA: 467.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1715.83
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 157274766) is (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(Cl)nc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncc(Br)c4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?

The InChIKey is AYYUDEAXLCXAGO-GDZQDPKLSA-N. The full InChI is InChI=1S/C21H18N4O5.C20H15BrN4O5.C20H15FN4O5.C19H14ClN5O5/c1-11-5-13-6-17(30-16(13)8-22-11)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26;1-29-12-3-2-10-8-25(17(26)13(10)5-12)9-20(18(27)23-19(28)24-20)15-4-11-6-22-7-14(21)16(11)30-15;1-29-12-3-2-10-8-25(17(26)13(10)6-12)9-20(18(27)23-19(28)24-20)15-4-11-5-16(21)22-7-14(11)30-15;1-29-11-3-2-9-7-25(15(26)12(9)5-11)8-19(16(27)23-18(28)24-19)13-4-10-6-21-17(20)22-14(10)30-13/h3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2*2-7H,8-9H2,1H3,(H2,23,24,27,28);2-6H,7-8H2,1H3,(H2,23,24,27,28)/t21-;2*20-;19-/m0000/s1.

What are the key properties of (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?

(5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 1715.83 g/mol, XLogP of 7.37, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(7-bromofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(2-chlorofuro[2,3-d]pyrimidin-6-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 157274766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).