(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H16N4O5 — CID 90817815

IUPAC(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4cc5cccnc5o4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C20H16N4O5/c1-28-13-5-4-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)15-7-11-3-2-6-21-16(11)29-15/h2-9,25H,10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1
InChIKeyDOIKTGSOEZGLLW-FQEVSTJZSA-N
MW392.37 g/mol
LogP2.23
Rot. Bonds4

About (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90817815) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90817815
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4cc5cccnc5o4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C20H16N4O5/c1-28-13-5-4-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)15-7-11-3-2-6-21-16(11)29-15/h2-9,25H,10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1
InChIKeyDOIKTGSOEZGLLW-FQEVSTJZSA-N
XLogP2.23
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 90884281
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
tert-butyl 2-[(4S)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 91168790
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5R)-5-[1-(4-fluorophenyl)pyrazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91502991
methyl 3-[2-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]pyridine-2-carboxylate
CID 91212167
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001

Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90817815) is (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4cc5cccnc5o4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DOIKTGSOEZGLLW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-28-13-5-4-12-9-24(17(25)14(12)8-13)10-20(18(26)22-19(27)23-20)15-7-11-3-2-6-21-16(11)29-15/h2-9,25H,10H2,1H3,(H2,22,23,26,27)/t20-/m0/s1.
What are the key properties of (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 392.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[2,3-b]pyridin-2-yl-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90817815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).