3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione

C32H32F3N7O4 — CID 167119966

About 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione

3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 167119966) has the molecular formula C32H32F3N7O4 and a molecular weight of 635.65 g/mol. Its IUPAC name is 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione
• PubChem CID: 167119966
• Molecular Formula: C32H32F3N7O4
• Molecular Weight: 635.65 g/mol
• Exact Mass: 635.25
• IUPAC Name: 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCCN5C(=O)CNC5=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
• InChI: InChI=1S/C32H32F3N7O4/c1-2-20-23(34)5-4-17-10-19(43)11-21(25(17)20)27-26(35)28-22(13-37-27)29(36-7-9-42-24(44)14-38-31(42)45)40-30(39-28)46-16-32-6-3-8-41(32)15-18(33)12-32/h4-5,10-11,13,18,43H,2-3,6-9,12,14-16H2,1H3,(H,38,45)(H,36,39,40)/t18-,32+/m1/s1
• InChIKey: NUNUYKOPGREVAN-CVCYQNGTSA-N
• XLogP: 4.31
• TPSA: 132.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.65
LogP ≤ 5	4.31
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 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione (CID 167119966) is 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCCN5C(=O)CNC5=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.

What is the InChIKey of 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?

The InChIKey is NUNUYKOPGREVAN-CVCYQNGTSA-N. The full InChI is InChI=1S/C32H32F3N7O4/c1-2-20-23(34)5-4-17-10-19(43)11-21(25(17)20)27-26(35)28-22(13-37-27)29(36-7-9-42-24(44)14-38-31(42)45)40-30(39-28)46-16-32-6-3-8-41(32)15-18(33)12-32/h4-5,10-11,13,18,43H,2-3,6-9,12,14-16H2,1H3,(H,38,45)(H,36,39,40)/t18-,32+/m1/s1.

What are the key properties of 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?

3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 635.65 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167119966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).