(1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C23H23FN8 — CID 155774211

About (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774211) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 155774211
• Molecular Formula: C23H23FN8
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.20
• IUPAC Name: (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Nc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c1F
• InChI: InChI=1S/C23H23FN8/c24-17-15(5-8-27-21(17)26)18-19-22(31-30-18)29-16(12-28-19)32-9-6-23(7-10-32)11-13-3-1-2-4-14(13)20(23)25/h1-5,8,12,20H,6-7,9-11,25H2,(H2,26,27)(H,29,30,31)/t20-/m0/s1
• InChIKey: ZBELBQKNQGOCSU-FQEVSTJZSA-N
• XLogP: 2.98
• TPSA: 122.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774211) is (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c1F.

What is the InChIKey of (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is ZBELBQKNQGOCSU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN8/c24-17-15(5-8-27-21(17)26)18-19-22(31-30-18)29-16(12-28-19)32-9-6-23(7-10-32)11-13-3-1-2-4-14(13)20(23)25/h1-5,8,12,20H,6-7,9-11,25H2,(H2,26,27)(H,29,30,31)/t20-/m0/s1.

What are the key properties of (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 430.49 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1'-[3-(2-amino-3-fluoro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).