5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C27H27FN8O5 — CID 75171750

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

5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 75171750) has the molecular formula C27H27FN8O5 and a molecular weight of 562.56 g/mol. Its IUPAC name is 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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: 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 75171750
• Molecular Formula: C27H27FN8O5
• Molecular Weight: 562.56 g/mol
• Exact Mass: 562.21
• IUPAC Name: 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(N(CCN(C)C)c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H27FN8O5/c1-34(2)8-9-36(16-11-29-30-12-16)21-7-6-18-17(31-21)10-20(41-18)27(25(38)32-26(39)33-27)14-35-13-15-4-5-19(40-3)23(28)22(15)24(35)37/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,29,30)(H2,32,33,38,39)
• InChIKey: OKJWQSVDGICOPX-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 148.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.56
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 75171750) is 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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(CC1(c3cc4nc(N(CCN(C)C)c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 OKJWQSVDGICOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8O5/c1-34(2)8-9-36(16-11-29-30-12-16)21-7-6-18-17(31-21)10-20(41-18)27(25(38)32-26(39)33-27)14-35-13-15-4-5-19(40-3)23(28)22(15)24(35)37/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,29,30)(H2,32,33,38,39).

What are the key properties of 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 562.56 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[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 75171750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).