1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one

C26H27FN8O2 — CID 158221828

About 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one

1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 158221828) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one
• PubChem CID: 158221828
• Molecular Formula: C26H27FN8O2
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.22
• IUPAC Name: 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one
• SMILES: CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCCC4=O)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2
• InChI: InChI=1S/C26H27FN8O2/c1-29-18-8-14(27)7-17-16(18)9-19-22(17)23(34-12-20(28)26(13-34)4-5-26)33-25(32-19)37-15-10-30-24(31-11-15)35-6-2-3-21(35)36/h7-8,10-11,20,29H,2-6,9,12-13,28H2,1H3/t20-/m0/s1
• InChIKey: CMUBYDVRJCFGKX-FQEVSTJZSA-N
• XLogP: 2.87
• TPSA: 122.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one (CID 158221828) is 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one is CNc1cc(F)cc2c1Cc1nc(Oc3cnc(N4CCCC4=O)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.

What is the InChIKey of 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one?

The InChIKey is CMUBYDVRJCFGKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-29-18-8-14(27)7-17-16(18)9-19-22(17)23(34-12-20(28)26(13-34)4-5-26)33-25(32-19)37-15-10-30-24(31-11-15)35-6-2-3-21(35)36/h7-8,10-11,20,29H,2-6,9,12-13,28H2,1H3/t20-/m0/s1.

What are the key properties of 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one?

1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 502.55 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 158221828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).