5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C24H24N6O5 — CID 91575859

IUPAC5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4c(o3)C=C(C3=NCCN3)CN4C)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5/c1-29-10-14(20-25-5-6-26-20)7-18-17(29)9-19(35-18)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)8-16(13)21(30)31/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,25,26)(H2,27,28,32,33)
InChIKeyWYPUVECVGUKDKY-UHFFFAOYSA-N
MW476.49 g/mol
LogP0.81
Rot. Bonds5

About 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91575859) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID91575859
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4c(o3)C=C(C3=NCCN3)CN4C)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5/c1-29-10-14(20-25-5-6-26-20)7-18-17(29)9-19(35-18)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)8-16(13)21(30)31/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,25,26)(H2,27,28,32,33)
InChIKeyWYPUVECVGUKDKY-UHFFFAOYSA-N
XLogP0.81
TPSA128.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 91575859) is 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4c(o3)C=C(C3=NCCN3)CN4C)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is WYPUVECVGUKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-29-10-14(20-25-5-6-26-20)7-18-17(29)9-19(35-18)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)8-16(13)21(30)31/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,25,26)(H2,27,28,32,33).
What are the key properties of 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 476.49 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5H-furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).