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

About 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

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 (PubChem CID 143989954) has the molecular formula C26H23FN6O5 and a molecular weight of 518.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	143989954
Molecular Formula	C26H23FN6O5
Molecular Weight	518.51 g/mol
Exact Mass	518.17
IUPAC Name	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
SMILES	COc1ccc2c(c1F)C(=O)N(C)C2.NC1=CCC=C(c2ccc3oc(C4NC(=O)NC4=O)cc3n2)C=N1
InChI	InChI=1S/C16H13N5O3.C10H10FNO2/c17-13-3-1-2-8(7-18-13)9-4-5-11-10(19-9)6-12(24-11)14-15(22)21-16(23)20-14;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h2-7,14H,1,17H2,(H2,20,21,22,23);3-4H,5H2,1-2H3
InChIKey	WYFBKXPPNOFWSD-UHFFFAOYSA-N
XLogP	2.79
TPSA	152.15 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc2c(c1F)C(=O)N(C)C2.NC1=CCC=C(c2ccc3oc(C4NC(=O)NC4=O)cc3n2)C=N1.

What is the InChIKey of 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?

The InChIKey is WYFBKXPPNOFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3.C10H10FNO2/c17-13-3-1-2-8(7-18-13)9-4-5-11-10(19-9)6-12(24-11)14-15(22)21-16(23)20-14;1-12-5-6-3-4-7(14-2)9(11)8(6)10(12)13/h2-7,14H,1,17H2,(H2,20,21,22,23);3-4H,5H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 518.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 143989954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).