2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one

C92H123FN28O4 — CID 160686626

About 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one

2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 160686626) has the molecular formula C92H123FN28O4 and a molecular weight of 1704.19 g/mol. Its IUPAC name is 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
• PubChem CID: 160686626
• Molecular Formula: C92H123FN28O4
• Molecular Weight: 1704.19 g/mol
• Exact Mass: 1703.03
• IUPAC Name: 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
• SMILES: CNc1cc(C2=NCc3nc(N4CCC5(CC[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c32)ccn1.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC3)CC(C)(F)C[C@H]4N)n(C)c(=O)c21.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC3)C[C@@H](C)C[C@H]4N)n(C)c(=O)c21.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c21
• InChI: InChI=1S/C23H30FN7O.3C23H31N7O/c1-13-14(4-5-17(26)28-13)19-18-15(11-27-19)29-21(30(3)20(18)32)31-8-6-23(7-9-31)12-22(2,24)10-16(23)25;1-14-4-6-23(20(14)24)7-10-30(11-8-23)22-28-16-13-27-19(18(16)21(31)29(22)3)15-5-9-26-17(12-15)25-2;1-13-10-17(24)23(11-13)6-8-30(9-7-23)22-28-16-12-26-20(19(16)21(31)29(22)3)15-4-5-18(25)27-14(15)2;1-13-6-7-23(20(13)25)8-10-30(11-9-23)22-28-16-12-26-19(18(16)21(31)29(22)3)15-4-5-17(24)27-14(15)2/h4-5,16H,6-12,25H2,1-3H3,(H2,26,28);5,9,12,14,20H,4,6-8,10-11,13,24H2,1-3H3,(H,25,26);4-5,13,17H,6-12,24H2,1-3H3,(H2,25,27);4-5,13,20H,6-12,25H2,1-3H3,(H2,24,27)/t16-,22?;14-,20-;13-,17+;13-,20-/m1101/s1
• InChIKey: ROVQTODNMUVDIY-SIZMWORQSA-N
• XLogP: 7.29
• TPSA: 447.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 9
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1704.19
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one (CID 160686626) is 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one is CNc1cc(C2=NCc3nc(N4CCC5(CC[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c32)ccn1.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC3)CC(C)(F)C[C@H]4N)n(C)c(=O)c21.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC3)C[C@@H](C)C[C@H]4N)n(C)c(=O)c21.Cc1nc(N)ccc1C1=NCc2nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c(=O)c21.

What is the InChIKey of 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The InChIKey is ROVQTODNMUVDIY-SIZMWORQSA-N. The full InChI is InChI=1S/C23H30FN7O.3C23H31N7O/c1-13-14(4-5-17(26)28-13)19-18-15(11-27-19)29-21(30(3)20(18)32)31-8-6-23(7-9-31)12-22(2,24)10-16(23)25;1-14-4-6-23(20(14)24)7-10-30(11-8-23)22-28-16-13-27-19(18(16)21(31)29(22)3)15-5-9-26-17(12-15)25-2;1-13-10-17(24)23(11-13)6-8-30(9-7-23)22-28-16-12-26-20(19(16)21(31)29(22)3)15-4-5-18(25)27-14(15)2;1-13-6-7-23(20(13)25)8-10-30(11-9-23)22-28-16-12-26-19(18(16)21(31)29(22)3)15-4-5-17(24)27-14(15)2/h4-5,16H,6-12,25H2,1-3H3,(H2,26,28);5,9,12,14,20H,4,6-8,10-11,13,24H2,1-3H3,(H,25,26);4-5,13,17H,6-12,24H2,1-3H3,(H2,25,27);4-5,13,20H,6-12,25H2,1-3H3,(H2,24,27)/t16-,22?;14-,20-;13-,17+;13-,20-/m1101/s1.

What are the key properties of 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?

2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 1704.19 g/mol, XLogP of 7.29, 9 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(6-amino-2-methyl-3-pyridinyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(methylamino)-4-pyridinyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 160686626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).