(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C25H17FN6O5 — CID 45273989

IUPAC(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCc1cc2cc3c(c(F)c2o1)C(=O)N(C[C@@]1(c2cc4nc(-c5cn[nH]c5)ccc4o2)NC(=O)NC1=O)C3
InChIInChI=1S/C25H17FN6O5/c1-11-4-12-5-13-9-32(22(33)19(13)20(26)21(12)36-11)10-25(23(34)30-24(35)31-25)18-6-16-17(37-18)3-2-15(29-16)14-7-27-28-8-14/h2-8H,9-10H2,1H3,(H,27,28)(H2,30,31,34,35)/t25-/m0/s1
InChIKeyAJGINNGKGYDQOA-VWLOTQADSA-N
MW500.45 g/mol
LogP3.10
Rot. Bonds4

About (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 45273989) has the molecular formula C25H17FN6O5 and a molecular weight of 500.45 g/mol. Its IUPAC name is (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID45273989
Molecular FormulaC25H17FN6O5
Molecular Weight500.45 g/mol
Exact Mass500.12
IUPAC Name(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCc1cc2cc3c(c(F)c2o1)C(=O)N(C[C@@]1(c2cc4nc(-c5cn[nH]c5)ccc4o2)NC(=O)NC1=O)C3
InChIInChI=1S/C25H17FN6O5/c1-11-4-12-5-13-9-32(22(33)19(13)20(26)21(12)36-11)10-25(23(34)30-24(35)31-25)18-6-16-17(37-18)3-2-15(29-16)14-7-27-28-8-14/h2-8H,9-10H2,1H3,(H,27,28)(H2,30,31,34,35)/t25-/m0/s1
InChIKeyAJGINNGKGYDQOA-VWLOTQADSA-N
XLogP3.10
TPSA146.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 45273989) is (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is Cc1cc2cc3c(c(F)c2o1)C(=O)N(C[C@@]1(c2cc4nc(-c5cn[nH]c5)ccc4o2)NC(=O)NC1=O)C3.
What is the InChIKey of (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is AJGINNGKGYDQOA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H17FN6O5/c1-11-4-12-5-13-9-32(22(33)19(13)20(26)21(12)36-11)10-25(23(34)30-24(35)31-25)18-6-16-17(37-18)3-2-15(29-16)14-7-27-28-8-14/h2-8H,9-10H2,1H3,(H,27,28)(H2,30,31,34,35)/t25-/m0/s1.
What are the key properties of (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 500.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(8-fluoro-2-methyl-7-oxo-5H-furo[2,3-f]isoindol-6-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45273989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).