2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one

C95H124Cl4N28O7 — CID 158293773

About 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-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-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 158293773) has the molecular formula C95H124Cl4N28O7 and a molecular weight of 1912.04 g/mol. Its IUPAC name is 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one
• PubChem CID: 158293773
• Molecular Formula: C95H124Cl4N28O7
• Molecular Weight: 1912.04 g/mol
• Exact Mass: 1908.90
• IUPAC Name: 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one
• SMILES: CCNc1nccc(C2=NCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n(C)c(=O)c32)c1Cl.C[C@@H]1OCC2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(N(C)C)c3Cl)=NC4)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(NCC5CC5)c3Cl)=NC4)CC2)[C@@H]1N.C[C@H]1C[C@@H](N)C2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(N(C)C)c3Cl)=NC4)CC2)C1
• InChI: InChI=1S/C25H32ClN7O2.C24H32ClN7O.2C23H30ClN7O2/c1-14-21(27)25(13-35-14)6-9-33(10-7-25)24-31-17-12-29-20(18(17)23(34)32(24)2)16-5-8-28-22(19(16)26)30-11-15-3-4-15;1-14-11-17(26)24(12-14)6-9-32(10-7-24)23-29-16-13-28-20(18(16)22(33)31(23)4)15-5-8-27-21(19(15)25)30(2)3;1-13-19(25)23(12-33-13)6-9-31(10-7-23)22-28-15-11-27-18(16(15)21(32)30(22)4)14-5-8-26-20(17(14)24)29(2)3;1-4-26-20-17(24)14(5-8-27-20)18-16-15(11-28-18)29-22(30(3)21(16)32)31-9-6-23(7-10-31)12-33-13(2)19(23)25/h5,8,14-15,21H,3-4,6-7,9-13,27H2,1-2H3,(H,28,30);5,8,14,17H,6-7,9-13,26H2,1-4H3;5,8,13,19H,6-7,9-12,25H2,1-4H3;5,8,13,19H,4,6-7,9-12,25H2,1-3H3,(H,26,27)/t14-,21+;14-,17+;2*13-,19+/m0000/s1
• InChIKey: GLQZMRZTHFEBJL-KHIDNTOESA-N
• XLogP: 8.45
• TPSA: 415.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.04
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one (CID 158293773) is 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one is CCNc1nccc(C2=NCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)n(C)c(=O)c32)c1Cl.C[C@@H]1OCC2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(N(C)C)c3Cl)=NC4)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(NCC5CC5)c3Cl)=NC4)CC2)[C@@H]1N.C[C@H]1C[C@@H](N)C2(CCN(c3nc4c(c(=O)n3C)C(c3ccnc(N(C)C)c3Cl)=NC4)CC2)C1.

What is the InChIKey of 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one?

The InChIKey is GLQZMRZTHFEBJL-KHIDNTOESA-N. The full InChI is InChI=1S/C25H32ClN7O2.C24H32ClN7O.2C23H30ClN7O2/c1-14-21(27)25(13-35-14)6-9-33(10-7-25)24-31-17-12-29-20(18(17)23(34)32(24)2)16-5-8-28-22(19(16)26)30-11-15-3-4-15;1-14-11-17(26)24(12-14)6-9-32(10-7-24)23-29-16-13-28-20(18(16)22(33)31(23)4)15-5-8-27-21(19(15)25)30(2)3;1-13-19(25)23(12-33-13)6-9-31(10-7-23)22-28-15-11-27-18(16(15)21(32)30(22)4)14-5-8-26-20(17(14)24)29(2)3;1-4-26-20-17(24)14(5-8-27-20)18-16-15(11-28-18)29-22(30(3)21(16)32)31-9-6-23(7-10-31)12-33-13(2)19(23)25/h5,8,14-15,21H,3-4,6-7,9-13,27H2,1-2H3,(H,28,30);5,8,14,17H,6-7,9-13,26H2,1-4H3;5,8,13,19H,6-7,9-12,25H2,1-4H3;5,8,13,19H,4,6-7,9-12,25H2,1-3H3,(H,26,27)/t14-,21+;14-,17+;2*13-,19+/m0000/s1.

What are the key properties of 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-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-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 1912.04 g/mol, XLogP of 8.45, 15 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(cyclopropylmethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(dimethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one;2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(ethylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 158293773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).