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

C23H17FN6O5 — CID 70234804

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H17FN6O5/c1-34-15-4-3-12-10-29(20(31)18(12)19(15)24)11-23(21(32)27-22(33)28-23)16-9-13-14(35-16)5-6-17(26-13)30-8-2-7-25-30/h2-9H,10-11H2,1H3,(H2,27,28,32,33)/t23-/m0/s1
InChIKeyDSIOBDZXMHGUSB-QHCPKHFHSA-N
MW476.42 g/mol
LogP1.85
Rot. Bonds5

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

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 70234804) has the molecular formula C23H17FN6O5 and a molecular weight of 476.42 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID70234804
Molecular FormulaC23H17FN6O5
Molecular Weight476.42 g/mol
Exact Mass476.12
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H17FN6O5/c1-34-15-4-3-12-10-29(20(31)18(12)19(15)24)11-23(21(32)27-22(33)28-23)16-9-13-14(35-16)5-6-17(26-13)30-8-2-7-25-30/h2-9H,10-11H2,1H3,(H2,27,28,32,33)/t23-/m0/s1
InChIKeyDSIOBDZXMHGUSB-QHCPKHFHSA-N
XLogP1.85
TPSA131.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[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-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 70234804) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is DSIOBDZXMHGUSB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17FN6O5/c1-34-15-4-3-12-10-29(20(31)18(12)19(15)24)11-23(21(32)27-22(33)28-23)16-9-13-14(35-16)5-6-17(26-13)30-8-2-7-25-30/h2-9H,10-11H2,1H3,(H2,27,28,32,33)/t23-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 476.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).