(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H18F2N6O5 — CID 58053154

IUPAC(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H18F2N6O5/c1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11/h2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36)/t25-/m0/s1
InChIKeyYNWOIRGKXNDUQM-VWLOTQADSA-N
MW520.45 g/mol
LogP2.45
Rot. Bonds5

About (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053154) has the molecular formula C25H18F2N6O5 and a molecular weight of 520.45 g/mol. Its IUPAC name is (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053154
Molecular FormulaC25H18F2N6O5
Molecular Weight520.45 g/mol
Exact Mass520.13
IUPAC Name(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H18F2N6O5/c1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11/h2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36)/t25-/m0/s1
InChIKeyYNWOIRGKXNDUQM-VWLOTQADSA-N
XLogP2.45
TPSA152.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053154) is (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YNWOIRGKXNDUQM-VWLOTQADSA-N. The full InChI is InChI=1S/C25H18F2N6O5/c1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11/h2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36)/t25-/m0/s1.
What are the key properties of (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 520.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(6-amino-3-pyridinyl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).