(1S)-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 152619311

IUPAC(1S)-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
SMILESNc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)c1F
InChIInChI=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-/m1/s1
InChIKeyZBELBQKNQGOCSU-HXUWFJFHSA-N
MW430.49 g/mol
LogP2.98
Rot. Bonds2

About (1S)-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

(1S)-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 152619311) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is (1S)-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(1S)-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 CID152619311
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name(1S)-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
SMILESNc1nccc(-c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)c1F
InChIInChI=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-/m1/s1
InChIKeyZBELBQKNQGOCSU-HXUWFJFHSA-N
XLogP2.98
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1S)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-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 (1S)-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 152619311) is (1S)-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 (1S)-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 (1S)-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 (1S)-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-HXUWFJFHSA-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-/m1/s1.
What are the key properties of (1S)-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?
(1S)-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 (1S)-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 152619311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).