[6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol

C23H25Cl2FN8O — CID 156641681

About [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol

[6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol (PubChem CID 156641681) has the molecular formula C23H25Cl2FN8O and a molecular weight of 519.41 g/mol. Its IUPAC name is [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol.

Molecular Properties

• Compound Name: [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
• PubChem CID: 156641681
• Molecular Formula: C23H25Cl2FN8O
• Molecular Weight: 519.41 g/mol
• Exact Mass: 518.15
• IUPAC Name: [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
• SMILES: Cn1nc2ccc(-c3[nH]nc4nc(N5CCC6(CC5)C[C@H](F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl
• InChI: InChI=1S/C23H25Cl2FN8O/c1-33-20(25)16-13(32-33)3-2-12(17(16)24)18-19-21(31-30-18)29-22(14(10-35)28-19)34-6-4-23(5-7-34)9-11(26)8-15(23)27/h2-3,11,15,35H,4-10,27H2,1H3,(H,29,30,31)/t11-,15-/m1/s1
• InChIKey: ABUDRRKXHBONTL-IAQYHMDHSA-N
• XLogP: 3.75
• TPSA: 121.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.41
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The IUPAC name of [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol (CID 156641681) is [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol.

What is the SMILES notation for [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The canonical SMILES for [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol is Cn1nc2ccc(-c3[nH]nc4nc(N5CCC6(CC5)C[C@H](F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl.

What is the InChIKey of [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The InChIKey is ABUDRRKXHBONTL-IAQYHMDHSA-N. The full InChI is InChI=1S/C23H25Cl2FN8O/c1-33-20(25)16-13(32-33)3-2-12(17(16)24)18-19-21(31-30-18)29-22(14(10-35)28-19)34-6-4-23(5-7-34)9-11(26)8-15(23)27/h2-3,11,15,35H,4-10,27H2,1H3,(H,29,30,31)/t11-,15-/m1/s1.

What are the key properties of [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

[6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol has a molecular weight of 519.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol is sourced from PubChem (CID 156641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).