6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

C23H26ClFN8O — CID 146307640

About 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 146307640) has the molecular formula C23H26ClFN8O and a molecular weight of 484.97 g/mol. Its IUPAC name is 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 146307640
• Molecular Formula: C23H26ClFN8O
• Molecular Weight: 484.97 g/mol
• Exact Mass: 484.19
• IUPAC Name: 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• SMILES: Cn1cc2c(Cl)c(-c3[nH]nc4nc(N5CCC6(CC5)C[C@@H](F)C[C@H]6N)n(C)c(=O)c34)ccc2n1
• InChI: InChI=1S/C23H26ClFN8O/c1-31-11-14-15(30-31)4-3-13(18(14)24)19-17-20(29-28-19)27-22(32(2)21(17)34)33-7-5-23(6-8-33)10-12(25)9-16(23)26/h3-4,11-12,16H,5-10,26H2,1-2H3,(H,28,29)/t12-,16+/m0/s1
• InChIKey: MEEXWVVQHHZDMQ-BLLLJJGKSA-N
• XLogP: 2.91
• TPSA: 110.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.97
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 146307640) is 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(Cl)c(-c3[nH]nc4nc(N5CCC6(CC5)C[C@@H](F)C[C@H]6N)n(C)c(=O)c34)ccc2n1.

What is the InChIKey of 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is MEEXWVVQHHZDMQ-BLLLJJGKSA-N. The full InChI is InChI=1S/C23H26ClFN8O/c1-31-11-14-15(30-31)4-3-13(18(14)24)19-17-20(29-28-19)27-22(32(2)21(17)34)33-7-5-23(6-8-33)10-12(25)9-16(23)26/h3-4,11-12,16H,5-10,26H2,1-2H3,(H,28,29)/t12-,16+/m0/s1.

What are the key properties of 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 484.97 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(4-chloro-2-methylindazol-5-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 146307640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).