(5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione

C115H100FN19O16S — CID 158798940

About (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 158798940) has the molecular formula C115H100FN19O16S and a molecular weight of 2055.25 g/mol. Its IUPAC name is (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 158798940
• Molecular Formula: C115H100FN19O16S
• Molecular Weight: 2055.25 g/mol
• Exact Mass: 2053.73
• IUPAC Name: (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5CC5CC5)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nn(CC6CC6)cc5c4)cc3)NC(=O)NC1=O)C2.O=C1CSc2c(cccc2-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1
• InChI: InChI=1S/2C30H27N5O4.C29H27N5O4.C26H19FN4O4S/c1-39-24-10-6-21-16-34(27(36)25(21)13-24)17-30(28(37)32-29(38)33-30)23-8-4-19(5-9-23)20-7-11-26-22(12-20)14-31-35(26)15-18-2-3-18;1-39-24-10-6-21-15-34(27(36)25(21)13-24)17-30(28(37)31-29(38)32-30)23-8-4-19(5-9-23)20-7-11-26-22(12-20)16-35(33-26)14-18-2-3-18;1-17(2)34-25-11-7-19(12-21(25)14-30-34)18-4-8-22(9-5-18)29(27(36)31-28(37)32-29)16-33-15-20-6-10-23(38-3)13-24(20)26(33)35;27-17-9-6-15-11-31(23(33)19(15)10-17)13-26(24(34)29-25(35)30-26)16-7-4-14(5-8-16)18-2-1-3-20-22(18)36-12-21(32)28-20/h4-14,18H,2-3,15-17H2,1H3,(H2,32,33,37,38);4-13,16,18H,2-3,14-15,17H2,1H3,(H2,31,32,37,38);4-14,17H,15-16H2,1-3H3,(H2,31,32,36,37);1-10H,11-13H2,(H,28,32)(H2,29,30,34,35)/t2*30-;29-;26-/m0000/s1
• InChIKey: ITFPFOQKNWXMSB-FHQQYVBISA-N
• XLogP: 14.84
• TPSA: 424.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.25
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 158798940) is (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5C(C)C)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5CC5CC5)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5nn(CC6CC6)cc5c4)cc3)NC(=O)NC1=O)C2.O=C1CSc2c(cccc2-c2ccc([C@]3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)N1.

What is the InChIKey of (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is ITFPFOQKNWXMSB-FHQQYVBISA-N. The full InChI is InChI=1S/2C30H27N5O4.C29H27N5O4.C26H19FN4O4S/c1-39-24-10-6-21-16-34(27(36)25(21)13-24)17-30(28(37)32-29(38)33-30)23-8-4-19(5-9-23)20-7-11-26-22(12-20)14-31-35(26)15-18-2-3-18;1-39-24-10-6-21-15-34(27(36)25(21)13-24)17-30(28(37)31-29(38)32-30)23-8-4-19(5-9-23)20-7-11-26-22(12-20)16-35(33-26)14-18-2-3-18;1-17(2)34-25-11-7-19(12-21(25)14-30-34)18-4-8-22(9-5-18)29(27(36)31-28(37)32-29)16-33-15-20-6-10-23(38-3)13-24(20)26(33)35;27-17-9-6-15-11-31(23(33)19(15)10-17)13-26(24(34)29-25(35)30-26)16-7-4-14(5-8-16)18-2-1-3-20-22(18)36-12-21(32)28-20/h4-14,18H,2-3,15-17H2,1H3,(H2,32,33,37,38);4-13,16,18H,2-3,14-15,17H2,1H3,(H2,31,32,37,38);4-14,17H,15-16H2,1-3H3,(H2,31,32,36,37);1-10H,11-13H2,(H,28,32)(H2,29,30,34,35)/t2*30-;29-;26-/m0000/s1.

What are the key properties of (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 2055.25 g/mol, XLogP of 14.84, 24 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-[2-(cyclopropylmethyl)indazol-5-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-propan-2-ylindazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158798940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).