4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone

C102H112F4N30O8 — CID 160526851

About 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone

4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone (PubChem CID 160526851) has the molecular formula C102H112F4N30O8 and a molecular weight of 1962.21 g/mol. Its IUPAC name is 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone
• PubChem CID: 160526851
• Molecular Formula: C102H112F4N30O8
• Molecular Weight: 1962.21 g/mol
• Exact Mass: 1960.92
• IUPAC Name: 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone
• SMILES: CCc1ncc(Oc2nc3c(c(N4CC5C[C@@H](N)C5C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(CC(=O)N(C)OC)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(CC(=O)N4CCOCC4)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2
• InChI: InChI=1S/C28H31FN8O3.C26H29FN8O3.2C24H26FN7O/c1-31-20-9-16(29)8-19-18(20)10-21-25(19)26(37-14-22(30)28(15-37)2-3-28)35-27(34-21)40-17-12-32-23(33-13-17)11-24(38)36-4-6-39-7-5-36;1-29-18-7-14(27)6-17-16(18)8-19-23(17)24(35-12-20(28)26(13-35)4-5-26)33-25(32-19)38-15-10-30-21(31-11-15)9-22(36)34(2)37-3;1-3-21-28-8-14(9-29-21)33-24-30-20-7-15-16(5-13(25)6-19(15)27-2)22(20)23(31-24)32-10-12-4-18(26)17(12)11-32;1-3-20-28-9-14(10-29-20)33-23-30-18-8-15-16(6-13(25)7-17(15)27-2)21(18)22(31-23)32-11-19(26)24(12-32)4-5-24/h8-9,12-13,22,31H,2-7,10-11,14-15,30H2,1H3;6-7,10-11,20,29H,4-5,8-9,12-13,28H2,1-3H3;5-6,8-9,12,17-18,27H,3-4,7,10-11,26H2,1-2H3;6-7,9-10,19,27H,3-5,8,11-12,26H2,1-2H3/t22-;20-;12?,17?,18-;19-/m0010/s1
• InChIKey: QVAFFRGLRVCFOP-XKKUGUEGSA-N
• XLogP: 10.90
• TPSA: 467.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1962.21
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone?

The IUPAC name of 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone (CID 160526851) is 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone.

What is the SMILES notation for 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone?

The canonical SMILES for 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone is CCc1ncc(Oc2nc3c(c(N4CC5C[C@@H](N)C5C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(CC(=O)N(C)OC)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(CC(=O)N4CCOCC4)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.

What is the InChIKey of 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone?

The InChIKey is QVAFFRGLRVCFOP-XKKUGUEGSA-N. The full InChI is InChI=1S/C28H31FN8O3.C26H29FN8O3.2C24H26FN7O/c1-31-20-9-16(29)8-19-18(20)10-21-25(19)26(37-14-22(30)28(15-37)2-3-28)35-27(34-21)40-17-12-32-23(33-13-17)11-24(38)36-4-6-39-7-5-36;1-29-18-7-14(27)6-17-16(18)8-19-23(17)24(35-12-20(28)26(13-35)4-5-26)33-25(32-19)38-15-10-30-21(31-11-15)9-22(36)34(2)37-3;1-3-21-28-8-14(9-29-21)33-24-30-20-7-15-16(5-13(25)6-19(15)27-2)22(20)23(31-24)32-10-12-4-18(26)17(12)11-32;1-3-20-28-9-14(10-29-20)33-23-30-18-8-15-16(6-13(25)7-17(15)27-2)21(18)22(31-23)32-11-19(26)24(12-32)4-5-24/h8-9,12-13,22,31H,2-7,10-11,14-15,30H2,1H3;6-7,10-11,20,29H,4-5,8-9,12-13,28H2,1-3H3;5-6,8-9,12,17-18,27H,3-4,7,10-11,26H2,1-2H3;6-7,9-10,19,27H,3-5,8,11-12,26H2,1-2H3/t22-;20-;12?,17?,18-;19-/m0010/s1.

What are the key properties of 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone?

4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone has a molecular weight of 1962.21 g/mol, XLogP of 10.90, 23 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[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]-N-methoxy-N-methylacetamide;2-[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]-1-morpholin-4-ylethanone is sourced from PubChem (CID 160526851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).