5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C48H43BrN14O10 — CID 159328407

IUPAC5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CCNc1nnc(-c2ccc(Br)cn2)o1.CCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cn2)o1
InChIInChI=1S/C24H21N7O5.C15H13N3O4.C9H9BrN4O/c1-3-25-23-30-29-19(36-23)18-7-4-14(11-26-18)8-9-24(21(33)27-22(34)28-24)13-31-12-15-5-6-16(35-2)10-17(15)20(31)32;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-2-11-9-14-13-8(15-9)7-4-3-6(10)5-12-7/h4-7,10-11H,3,12-13H2,1-2H3,(H,25,30)(H2,27,28,33,34);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);3-5H,2H2,1H3,(H,11,14)/t24-;15-;/m11./s1
InChIKeyLEQYTDWZVBVGIO-UZZGNXPNSA-N
MW1055.86 g/mol
LogP3.35
Rot. Bonds12

About 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 159328407) has the molecular formula C48H43BrN14O10 and a molecular weight of 1055.86 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID159328407
Molecular FormulaC48H43BrN14O10
Molecular Weight1055.86 g/mol
Exact Mass1054.25
IUPAC Name5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CCNc1nnc(-c2ccc(Br)cn2)o1.CCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cn2)o1
InChIInChI=1S/C24H21N7O5.C15H13N3O4.C9H9BrN4O/c1-3-25-23-30-29-19(36-23)18-7-4-14(11-26-18)8-9-24(21(33)27-22(34)28-24)13-31-12-15-5-6-16(35-2)10-17(15)20(31)32;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-2-11-9-14-13-8(15-9)7-4-3-6(10)5-12-7/h4-7,10-11H,3,12-13H2,1-2H3,(H,25,30)(H2,27,28,33,34);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);3-5H,2H2,1H3,(H,11,14)/t24-;15-;/m11./s1
InChIKeyLEQYTDWZVBVGIO-UZZGNXPNSA-N
XLogP3.35
TPSA303.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.86
LogP ≤ 53.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 159328407) is 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CCNc1nnc(-c2ccc(Br)cn2)o1.CCNc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cn2)o1.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LEQYTDWZVBVGIO-UZZGNXPNSA-N. The full InChI is InChI=1S/C24H21N7O5.C15H13N3O4.C9H9BrN4O/c1-3-25-23-30-29-19(36-23)18-7-4-14(11-26-18)8-9-24(21(33)27-22(34)28-24)13-31-12-15-5-6-16(35-2)10-17(15)20(31)32;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;1-2-11-9-14-13-8(15-9)7-4-3-6(10)5-12-7/h4-7,10-11H,3,12-13H2,1-2H3,(H,25,30)(H2,27,28,33,34);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);3-5H,2H2,1H3,(H,11,14)/t24-;15-;/m11./s1.
What are the key properties of 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 1055.86 g/mol, XLogP of 3.35, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-N-ethyl-1,3,4-oxadiazol-2-amine;(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159328407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).