(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

C46H38N10O13 — CID 157235015

IUPAC(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(C)=O)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)NC5=O)cnc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H20N6O7.C22H18N4O6/c1-23(19(32)26-21(34)28-23)13-5-12-6-16(37-17(12)25-8-13)24(20(33)27-22(35)29-24)10-30-9-11-3-4-14(36-2)7-15(11)18(30)31;1-11(27)14-5-13-6-17(32-18(13)23-8-14)22(20(29)24-21(30)25-22)10-26-9-12-3-4-15(31-2)7-16(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t23?,24-;22-/m00/s1
InChIKeyAUNNFGVNLSIGSE-YIKIZBSJSA-N
MW938.87 g/mol
LogP2.31
Rot. Bonds10

About (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 157235015) has the molecular formula C46H38N10O13 and a molecular weight of 938.87 g/mol. Its IUPAC name is (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
PubChem CID157235015
Molecular FormulaC46H38N10O13
Molecular Weight938.87 g/mol
Exact Mass938.26
IUPAC Name(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(C)=O)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)NC5=O)cnc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H20N6O7.C22H18N4O6/c1-23(19(32)26-21(34)28-23)13-5-12-6-16(37-17(12)25-8-13)24(20(33)27-22(35)29-24)10-30-9-11-3-4-14(36-2)7-15(11)18(30)31;1-11(27)14-5-13-6-17(32-18(13)23-8-14)22(20(29)24-21(30)25-22)10-26-9-12-3-4-15(31-2)7-16(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t23?,24-;22-/m00/s1
InChIKeyAUNNFGVNLSIGSE-YIKIZBSJSA-N
XLogP2.31
TPSA302.81 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.87
LogP ≤ 52.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (CID 157235015) is (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(C)=O)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)NC5=O)cnc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AUNNFGVNLSIGSE-YIKIZBSJSA-N. The full InChI is InChI=1S/C24H20N6O7.C22H18N4O6/c1-23(19(32)26-21(34)28-23)13-5-12-6-16(37-17(12)25-8-13)24(20(33)27-22(35)29-24)10-30-9-11-3-4-14(36-2)7-15(11)18(30)31;1-11(27)14-5-13-6-17(32-18(13)23-8-14)22(20(29)24-21(30)25-22)10-26-9-12-3-4-15(31-2)7-16(12)19(26)28/h3-8H,9-10H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t23?,24-;22-/m00/s1.
What are the key properties of (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 938.87 g/mol, XLogP of 2.31, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-acetylfuro[2,3-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 157235015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).