7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C24H22FN5O6 — CID 143990286

IUPAC7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3nc(N4CCCC4=O)ccc3o2)N1
InChIInChI=1S/C14H12N4O4.C10H10FNO2/c19-11-2-1-5-18(11)10-4-3-8-7(15-10)6-9(22-8)12-13(20)17-14(21)16-12;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-4,6,12H,1-2,5H2,(H2,16,17,20,21);3-4H,5H2,1-2H3
InChIKeyPBISUHPBYPPUJE-UHFFFAOYSA-N
MW495.47 g/mol
LogP2.26
Rot. Bonds3

About 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 143990286) has the molecular formula C24H22FN5O6 and a molecular weight of 495.47 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID143990286
Molecular FormulaC24H22FN5O6
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3nc(N4CCCC4=O)ccc3o2)N1
InChIInChI=1S/C14H12N4O4.C10H10FNO2/c19-11-2-1-5-18(11)10-4-3-8-7(15-10)6-9(22-8)12-13(20)17-14(21)16-12;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-4,6,12H,1-2,5H2,(H2,16,17,20,21);3-4H,5H2,1-2H3
InChIKeyPBISUHPBYPPUJE-UHFFFAOYSA-N
XLogP2.26
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-[5-(2-amino-4H-azepin-6-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989954
5-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143989605
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
acetylene;5-[4-ethenyl-5-(2-methyliminoethyl)furan-2-yl]imidazolidine-2,4-dione;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989146
N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide
CID 88582074
5-[5-[3-(aminomethyl)piperidin-1-yl]-6H-furo[3,2-b]azepin-2-yl]imidazolidine-2,4-dione;ethane;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989205
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-[(Z)-3-imino-3-(4-methyl-1,4-diazepan-1-yl)prop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
CID 143989360
1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989988
5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one
CID 143990246
methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate
CID 91386323
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-propan-2-ylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199504
5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990114

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 143990286) is 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3nc(N4CCCC4=O)ccc3o2)N1.
What is the InChIKey of 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is PBISUHPBYPPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4.C10H10FNO2/c19-11-2-1-5-18(11)10-4-3-8-7(15-10)6-9(22-8)12-13(20)17-14(21)16-12;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h3-4,6,12H,1-2,5H2,(H2,16,17,20,21);3-4H,5H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 495.47 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143990286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).