(5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C82H66ClF3N18O22 — CID 157316113

About (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 157316113) has the molecular formula C82H66ClF3N18O22 and a molecular weight of 1747.98 g/mol. Its IUPAC name is (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 157316113
• Molecular Formula: C82H66ClF3N18O22
• Molecular Weight: 1747.98 g/mol
• Exact Mass: 1746.42
• IUPAC Name: (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(F)(F)F)nc(N)nc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(OC)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(OC)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1Cl)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C21H18N4O6.C20H15ClN4O5.C20H15F3N6O5/c1-29-13-4-3-11-9-25(18(26)14(11)6-13)10-21(19(27)23-20(28)24-21)16-5-12-8-22-17(30-2)7-15(12)31-16;1-29-12-4-3-11-9-25(18(26)13(11)7-12)10-21(19(27)23-20(28)24-21)16-8-14-15(31-16)5-6-22-17(14)30-2;1-29-13-3-2-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-6-11-7-22-5-4-12(11)30-14;1-33-9-3-2-8-6-29(15(30)10(8)4-9)7-19(16(31)27-18(32)28-19)12-5-11-13(20(21,22)23)25-17(24)26-14(11)34-12/h2*3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-5H,6-7H2,1H3,(H2,24,25,26)(H2,27,28,31,32)/t2*21-;20-;19-/m0000/s1
• InChIKey: BDPNNNBYLNAYIQ-OTHXDUHRSA-N
• XLogP: 6.78
• TPSA: 512.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.98
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 157316113) is (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(F)(F)F)nc(N)nc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(OC)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(OC)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1Cl)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is BDPNNNBYLNAYIQ-OTHXDUHRSA-N. The full InChI is InChI=1S/2C21H18N4O6.C20H15ClN4O5.C20H15F3N6O5/c1-29-13-4-3-11-9-25(18(26)14(11)6-13)10-21(19(27)23-20(28)24-21)16-5-12-8-22-17(30-2)7-15(12)31-16;1-29-12-4-3-11-9-25(18(26)13(11)7-12)10-21(19(27)23-20(28)24-21)16-8-14-15(31-16)5-6-22-17(14)30-2;1-29-13-3-2-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-6-11-7-22-5-4-12(11)30-14;1-33-9-3-2-8-6-29(15(30)10(8)4-9)7-19(16(31)27-18(32)28-19)12-5-11-13(20(21,22)23)25-17(24)26-14(11)34-12/h2*3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-5H,6-7H2,1H3,(H2,24,25,26)(H2,27,28,31,32)/t2*21-;20-;19-/m0000/s1.

What are the key properties of (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 1747.98 g/mol, XLogP of 6.78, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[2-amino-4-(trifluoromethyl)furo[2,3-d]pyrimidin-6-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-chloro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-(4-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(6-methoxyfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157316113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).