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

C24H20N6O5 — CID 70233954

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cnn(C)c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H20N6O5/c1-29-10-14(9-25-29)17-5-6-19-18(26-17)8-20(35-19)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)7-16(13)21(30)31/h3-10H,11-12H2,1-2H3,(H2,27,28,32,33)/t24-/m0/s1
InChIKeyNWWVPJQIFQOSOJ-DEOSSOPVSA-N
MW472.46 g/mol
LogP1.93
Rot. Bonds5

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 70233954) has the molecular formula C24H20N6O5 and a molecular weight of 472.46 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID70233954
Molecular FormulaC24H20N6O5
Molecular Weight472.46 g/mol
Exact Mass472.15
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cnn(C)c5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H20N6O5/c1-29-10-14(9-25-29)17-5-6-19-18(26-17)8-20(35-19)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)7-16(13)21(30)31/h3-10H,11-12H2,1-2H3,(H2,27,28,32,33)/t24-/m0/s1
InChIKeyNWWVPJQIFQOSOJ-DEOSSOPVSA-N
XLogP1.93
TPSA131.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 70233954) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cnn(C)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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is NWWVPJQIFQOSOJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N6O5/c1-29-10-14(9-25-29)17-5-6-19-18(26-17)8-20(35-19)24(22(32)27-23(33)28-24)12-30-11-13-3-4-15(34-2)7-16(13)21(30)31/h3-10H,11-12H2,1-2H3,(H2,27,28,32,33)/t24-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 472.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70233954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).