6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C46H42Br2N12O11 — CID 157485065

IUPAC6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(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.COc1ccc(N)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N)ccc3O)NC(=O)NC1=O)C2.Nc1ccc(O)c(Br)n1
InChIInChI=1S/C20H17N5O5.C15H13N3O4.C6H7BrN2O.C5H5BrN2O/c1-30-12-3-2-11-9-25(17(27)13(11)8-12)10-20(18(28)23-19(29)24-20)7-6-14-15(26)4-5-16(21)22-14;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;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5/h2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2-3H,1H3,(H2,8,9);1-2,9H,(H2,7,8)/t20-;15-;;/m11../s1
InChIKeyBWPPEQKLXFQHMK-OIEOOTLDSA-N
MW1098.72 g/mol
LogP2.39
Rot. Bonds7

About 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 157485065) has the molecular formula C46H42Br2N12O11 and a molecular weight of 1098.72 g/mol. Its IUPAC name is 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID157485065
Molecular FormulaC46H42Br2N12O11
Molecular Weight1098.72 g/mol
Exact Mass1096.15
IUPAC Name6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(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.COc1ccc(N)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N)ccc3O)NC(=O)NC1=O)C2.Nc1ccc(O)c(Br)n1
InChIInChI=1S/C20H17N5O5.C15H13N3O4.C6H7BrN2O.C5H5BrN2O/c1-30-12-3-2-11-9-25(17(27)13(11)8-12)10-20(18(28)23-19(29)24-20)7-6-14-15(26)4-5-16(21)22-14;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;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5/h2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2-3H,1H3,(H2,8,9);1-2,9H,(H2,7,8)/t20-;15-;;/m11../s1
InChIKeyBWPPEQKLXFQHMK-OIEOOTLDSA-N
XLogP2.39
TPSA341.90 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001098.72
LogP ≤ 52.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(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 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 157485065) is 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(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.COc1ccc(N)nc1Br.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N)ccc3O)NC(=O)NC1=O)C2.Nc1ccc(O)c(Br)n1.
What is the InChIKey of 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BWPPEQKLXFQHMK-OIEOOTLDSA-N. The full InChI is InChI=1S/C20H17N5O5.C15H13N3O4.C6H7BrN2O.C5H5BrN2O/c1-30-12-3-2-11-9-25(17(27)13(11)8-12)10-20(18(28)23-19(29)24-20)7-6-14-15(26)4-5-16(21)22-14;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;1-10-4-2-3-5(8)9-6(4)7;6-5-3(9)1-2-4(7)8-5/h2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2-3H,1H3,(H2,8,9);1-2,9H,(H2,7,8)/t20-;15-;;/m11../s1.
What are the key properties of 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 1098.72 g/mol, XLogP of 2.39, 7 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromopyridin-3-ol;(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;6-bromo-5-methoxypyridin-2-amine;(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157485065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).