(5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione

C111H94ClF4N19O20S — CID 158943840

About (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 158943840) has the molecular formula C111H94ClF4N19O20S and a molecular weight of 2157.60 g/mol. Its IUPAC name is (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158943840
• Molecular Formula: C111H94ClF4N19O20S
• Molecular Weight: 2157.60 g/mol
• Exact Mass: 2155.63
• IUPAC Name: (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(N)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCCC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)c(Cl)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3C(F)(F)F)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H25N5O4.C23H21N5O4.C22H16F3N3O4.C21H15ClFN3O4.C20H17N3O4S/c1-34-20-7-5-18-14-30(22(31)21(18)12-20)16-25(23(32)27-24(33)28-25)9-8-17-4-6-19(26-13-17)15-29-10-2-3-11-29;1-32-16-4-3-15-12-28(19(29)17(15)10-16)13-23(20(30)26-21(31)27-23)7-6-14-2-5-18(25-11-14)22(24)8-9-22;1-32-15-7-6-14-11-28(18(29)16(14)10-15)12-21(19(30)26-20(31)27-21)9-8-13-4-2-3-5-17(13)22(23,24)25;1-30-14-4-3-13-10-26(18(27)15(13)9-14)11-21(19(28)24-20(29)25-21)7-6-12-2-5-17(23)16(22)8-12;1-12-3-6-15(28-12)7-8-20(18(25)21-19(26)22-20)11-23-10-13-4-5-14(27-2)9-16(13)17(23)24/h4-7,12-13H,2-3,10-11,14-16H2,1H3,(H2,27,28,32,33);2-5,10-11H,8-9,12-13,24H2,1H3,(H2,26,27,30,31);2-7,10H,11-12H2,1H3,(H2,26,27,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);3-6,9H,10-11H2,1-2H3,(H2,21,22,25,26)/t25-;23-;2*21-;20-/m11111/s1
• InChIKey: JKOSXBNOAPJVQL-SLXKTUPVSA-N
• XLogP: 7.92
• TPSA: 493.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2157.60
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

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-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione (CID 158943840) is (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(N)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCCC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)c(Cl)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3C(F)(F)F)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is JKOSXBNOAPJVQL-SLXKTUPVSA-N. The full InChI is InChI=1S/C25H25N5O4.C23H21N5O4.C22H16F3N3O4.C21H15ClFN3O4.C20H17N3O4S/c1-34-20-7-5-18-14-30(22(31)21(18)12-20)16-25(23(32)27-24(33)28-25)9-8-17-4-6-19(26-13-17)15-29-10-2-3-11-29;1-32-16-4-3-15-12-28(19(29)17(15)10-16)13-23(20(30)26-21(31)27-23)7-6-14-2-5-18(25-11-14)22(24)8-9-22;1-32-15-7-6-14-11-28(18(29)16(14)10-15)12-21(19(30)26-20(31)27-21)9-8-13-4-2-3-5-17(13)22(23,24)25;1-30-14-4-3-13-10-26(18(27)15(13)9-14)11-21(19(28)24-20(29)25-21)7-6-12-2-5-17(23)16(22)8-12;1-12-3-6-15(28-12)7-8-20(18(25)21-19(26)22-20)11-23-10-13-4-5-14(27-2)9-16(13)17(23)24/h4-7,12-13H,2-3,10-11,14-16H2,1H3,(H2,27,28,32,33);2-5,10-11H,8-9,12-13,24H2,1H3,(H2,26,27,30,31);2-7,10H,11-12H2,1H3,(H2,26,27,30,31);2-5,8-9H,10-11H2,1H3,(H2,24,25,28,29);3-6,9H,10-11H2,1-2H3,(H2,21,22,25,26)/t25-;23-;2*21-;20-/m11111/s1.

What are the key properties of (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 2157.60 g/mol, XLogP of 7.92, 18 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[6-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-chloro-4-fluorophenyl)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-(5-methylthiophen-2-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158943840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).