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

C24H32ClN7O — CID 158293776

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-[(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 (PubChem CID 158293776) has the molecular formula C24H32ClN7O and a molecular weight of 470.02 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.

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
• PubChem CID: 158293776
• Molecular Formula: C24H32ClN7O
• Molecular Weight: 470.02 g/mol
• Exact Mass: 469.24
• 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
• SMILES: 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/C24H32ClN7O/c1-14-11-17(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/h5,8,14,17H,6-7,9-13,26H2,1-4H3/t14-,17+/m0/s1
• InChIKey: JCDUBEWEPBTXLR-WMLDXEAASA-N
• XLogP: 2.59
• TPSA: 92.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.02
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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?

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 (CID 158293776) 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.

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?

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 is 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?

The InChIKey is JCDUBEWEPBTXLR-WMLDXEAASA-N. The full InChI is InChI=1S/C24H32ClN7O/c1-14-11-17(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/h5,8,14,17H,6-7,9-13,26H2,1-4H3/t14-,17+/m0/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-[(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 has a molecular weight of 470.02 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 158293776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).