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

C24H19N5O5 — CID 58054049

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc[nH]c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H19N5O5/c1-33-15-3-2-14-11-29(21(30)16(14)8-15)12-24(22(31)27-23(32)28-24)20-9-18-19(34-20)5-4-17(26-18)13-6-7-25-10-13/h2-10,25H,11-12H2,1H3,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyMNDSRTCSDFQOOF-DEOSSOPVSA-N
MW457.45 g/mol
LogP2.52
Rot. Bonds5

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 58054049) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID58054049
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc[nH]c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H19N5O5/c1-33-15-3-2-14-11-29(21(30)16(14)8-15)12-24(22(31)27-23(32)28-24)20-9-18-19(34-20)5-4-17(26-18)13-6-7-25-10-13/h2-10,25H,11-12H2,1H3,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyMNDSRTCSDFQOOF-DEOSSOPVSA-N
XLogP2.52
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 58054049) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cc[nH]c5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is MNDSRTCSDFQOOF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19N5O5/c1-33-15-3-2-14-11-29(21(30)16(14)8-15)12-24(22(31)27-23(32)28-24)20-9-18-19(34-20)5-4-17(26-18)13-6-7-25-10-13/h2-10,25H,11-12H2,1H3,(H2,27,28,31,32)/t24-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 457.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 58054049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).