(5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione

C88H67F3N22O16 — CID 162075177

About (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione (PubChem CID 162075177) has the molecular formula C88H67F3N22O16 and a molecular weight of 1745.64 g/mol. Its IUPAC name is (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 162075177
• Molecular Formula: C88H67F3N22O16
• Molecular Weight: 1745.64 g/mol
• Exact Mass: 1744.51
• IUPAC Name: (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]ncc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4n[nH]nc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4nc(C(F)(F)F)cn4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4nnn(C)c4c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H16F3N5O4.C22H18N6O4.C22H17N5O4.C21H16N6O4/c1-35-15-4-3-14-10-31(19(32)16(14)8-15)12-22(20(33)28-21(34)29-22)7-6-13-2-5-18-27-17(23(24,25)26)11-30(18)9-13;1-27-18-9-13(3-6-17(18)25-26-27)7-8-22(20(30)23-21(31)24-22)12-28-11-14-4-5-15(32-2)10-16(14)19(28)29;1-31-16-4-3-14-11-27(19(28)17(14)9-16)12-22(20(29)24-21(30)25-22)7-6-13-2-5-18-15(8-13)10-23-26-18;1-31-14-4-3-13-10-27(18(28)15(13)9-14)11-21(19(29)22-20(30)23-21)7-6-12-2-5-16-17(8-12)25-26-24-16/h2-5,8-9,11H,10,12H2,1H3,(H2,28,29,33,34);3-6,9-10H,11-12H2,1-2H3,(H2,23,24,30,31);2-5,8-10H,11-12H2,1H3,(H,23,26)(H2,24,25,29,30);2-5,8-9H,10-11H2,1H3,(H,24,25,26)(H2,22,23,29,30)/t3*22-;21-/m1111/s1
• InChIKey: ZBPOBLWRTHMQAS-IZYCJSFNSA-N
• XLogP: 4.22
• TPSA: 469.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.64
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione (CID 162075177) is (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]ncc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4n[nH]nc4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4nc(C(F)(F)F)cn4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4nnn(C)c4c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is ZBPOBLWRTHMQAS-IZYCJSFNSA-N. The full InChI is InChI=1S/C23H16F3N5O4.C22H18N6O4.C22H17N5O4.C21H16N6O4/c1-35-15-4-3-14-10-31(19(32)16(14)8-15)12-22(20(33)28-21(34)29-22)7-6-13-2-5-18-27-17(23(24,25)26)11-30(18)9-13;1-27-18-9-13(3-6-17(18)25-26-27)7-8-22(20(30)23-21(31)24-22)12-28-11-14-4-5-15(32-2)10-16(14)19(28)29;1-31-16-4-3-14-11-27(19(28)17(14)9-16)12-22(20(29)24-21(30)25-22)7-6-13-2-5-18-15(8-13)10-23-26-18;1-31-14-4-3-13-10-27(18(28)15(13)9-14)11-21(19(29)22-20(30)23-21)7-6-12-2-5-16-17(8-12)25-26-24-16/h2-5,8-9,11H,10,12H2,1H3,(H2,28,29,33,34);3-6,9-10H,11-12H2,1-2H3,(H2,23,24,30,31);2-5,8-10H,11-12H2,1H3,(H,23,26)(H2,24,25,29,30);2-5,8-9H,10-11H2,1H3,(H,24,25,26)(H2,22,23,29,30)/t3*22-;21-/m1111/s1.

What are the key properties of (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 1745.64 g/mol, XLogP of 4.22, 12 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-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-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162075177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).