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

C23H24Cl2F2N8O — CID 156641656

About [6-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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 156641656) has the molecular formula C23H24Cl2F2N8O and a molecular weight of 537.40 g/mol. Its IUPAC name is [6-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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: 156641656
• Molecular Formula: C23H24Cl2F2N8O
• Molecular Weight: 537.40 g/mol
• Exact Mass: 536.14
• IUPAC Name: [6-[(4R)-4-amino-2,2-difluoro-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)CC(F)(F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl
• InChI: InChI=1S/C23H24Cl2F2N8O/c1-34-19(25)15-12(33-34)3-2-11(16(15)24)17-18-20(32-31-17)30-21(13(9-36)29-18)35-6-4-22(5-7-35)10-23(26,27)8-14(22)28/h2-3,14,36H,4-10,28H2,1H3,(H,30,31,32)/t14-/m1/s1
• InChIKey: MXXNTIIBCBVMBL-CQSZACIVSA-N
• XLogP: 4.05
• TPSA: 121.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.40
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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 156641656) is [6-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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)CC(F)(F)C[C@H]6N)c(CO)nc34)c(Cl)c2c1Cl.

What is the InChIKey of [6-[(4R)-4-amino-2,2-difluoro-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 MXXNTIIBCBVMBL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24Cl2F2N8O/c1-34-19(25)15-12(33-34)3-2-11(16(15)24)17-18-20(32-31-17)30-21(13(9-36)29-18)35-6-4-22(5-7-35)10-23(26,27)8-14(22)28/h2-3,14,36H,4-10,28H2,1H3,(H,30,31,32)/t14-/m1/s1.

What are the key properties of [6-[(4R)-4-amino-2,2-difluoro-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-[(4R)-4-amino-2,2-difluoro-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 537.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(4R)-4-amino-2,2-difluoro-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 156641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).